4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol

C68H62O9 — CID 159558914

IUPAC4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C29H28O3.C20H18O3.C19H16O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h4-19,30-32H,1-3H3;2-13,21-23H,1H3;1-12,19-22H
InChIKeyMGIUTEDKAGHSMW-UHFFFAOYSA-N
MW1023.23 g/mol
LogP14.62
Rot. Bonds11

About 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol

4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol (PubChem CID 159558914) has the molecular formula C68H62O9 and a molecular weight of 1023.23 g/mol. Its IUPAC name is 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
PubChem CID159558914
Molecular FormulaC68H62O9
Molecular Weight1023.23 g/mol
Exact Mass1022.44
IUPAC Name4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C29H28O3.C20H18O3.C19H16O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h4-19,30-32H,1-3H3;2-13,21-23H,1H3;1-12,19-22H
InChIKeyMGIUTEDKAGHSMW-UHFFFAOYSA-N
XLogP14.62
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.23
LogP ≤ 514.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Bisphenol A
CID 6623
Hexestrol
CID 192197
Bisphenol B
CID 66166
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene
CID 83494
1,1-Bis(4-hydroxyphenyl)cyclohexane
CID 232446
1,1,1-Tris(4-hydroxyphenyl)ethane
CID 93118
1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
CID 74370
4,4',4''-(1-Methylpropanyl-3-ylidene)tris(6-tert-butyl-m-cresol)
CID 92905
4,4'-(1-Phenylethylidene)bisphenol
CID 623849
4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane
CID 21943953
4,4'-(4-Methylpentane-2,2-diyl)diphenol
CID 81259

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol (CID 159558914) is 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol?
The InChIKey is MGIUTEDKAGHSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O3.C20H18O3.C19H16O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24;1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h4-19,30-32H,1-3H3;2-13,21-23H,1H3;1-12,19-22H.
What are the key properties of 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol?
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol has a molecular weight of 1023.23 g/mol, XLogP of 14.62, 11 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 159558914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).