CAS 101432-05-7 | 1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis- | CAS Number 101432-05-7

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101432-05-7 | 1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis-

CAS No: 101432-05-7 Catalog No: AG0004HI MDL No:

Product Description

Catalog Number:

AG0004HI

Chemical Name:

1,2-Benzenediol, 4,4'-(1,4-butanediyl)bis-

CAS Number:

101432-05-7

Molecular Formula:

C16H18O4

Molecular Weight:

274.3117

IUPAC Name:

4-[4-(3,4-dihydroxyphenyl)butyl]benzene-1,2-diol

InChI:

InChI=1S/C16H18O4/c17-13-7-5-11(9-15(13)19)3-1-2-4-12-6-8-14(18)16(20)10-12/h5-10,17-20H,1-4H2

InChI Key:

JMYXNUMGPRHHBC-UHFFFAOYSA-N

SMILES:

Oc1ccc(cc1O)CCCCc1ccc(c(c1)O)O

Properties

Complexity:

256

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

274.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.316g/mol

Monoisotopic Mass:

274.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
Restraining the flexibility of the central linker in terameprocol results in constrained analogs with improved growth inhibitory activity.	Bioorganic & medicinal chemistry letters 20131115
Inhibition of IGF-1R and lipoxygenase by nordihydroguaiaretic acid (NDGA) analogs.	Bioorganic & medicinal chemistry letters 20070715