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2300-15-4 | Phenol, 2,4-bis[1-(4-hydroxyphenyl)-1-methylethyl]-
CAS No: 2300-15-4 Catalog No: AG002LTL MDL No:
Product Description
Catalog Number:
AG002LTL
Chemical Name:
Phenol, 2,4-bis[1-(4-hydroxyphenyl)-1-methylethyl]-
CAS Number:
2300-15-4
Molecular Formula:
C24H26O3
Molecular Weight:
362.4614
IUPAC Name:
2,4-bis[2-(4-hydroxyphenyl)propan-2-yl]phenol
InChI:
InChI=1S/C24H26O3/c1-23(2,16-5-10-19(25)11-6-16)18-9-14-22(27)21(15-18)24(3,4)17-7-12-20(26)13-8-17/h5-15,25-27H,1-4H3
InChI Key:
VPVTXVHUJHGOCM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(c1ccc(c(c1)C(c1ccc(cc1)O)(C)C)O)(C)C
EC Number:
218-949-6
UNII:
311J2HZ27F
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.188g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.469g/mol
Monoisotopic Mass:
362.188g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| 2,4-Bis[1-(4-hydroxyphenyl)-1-methylethyl]phenol: a three-dimensional framework built from O-H...O hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20080401 |
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