4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol

C75H82O8 — CID 158636490

IUPAC4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC(C)(C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1.Oc1ccc(C2(c3ccc(O)cc3)CCC(C3CCC(c4ccc(O)cc4)(c4ccc(O)cc4)CC3)CC2)cc1
InChIInChI=1S/C39H44O4.C36H38O4/c1-37(2,27-19-23-38(24-20-27,29-3-11-33(40)12-4-29)30-5-13-34(41)14-6-30)28-21-25-39(26-22-28,31-7-15-35(42)16-8-31)32-9-17-36(43)18-10-32;37-31-9-1-27(2-10-31)35(28-3-11-32(38)12-4-28)21-17-25(18-22-35)26-19-23-36(24-20-26,29-5-13-33(39)14-6-29)30-7-15-34(40)16-8-30/h3-18,27-28,40-43H,19-26H2,1-2H3;1-16,25-26,37-40H,17-24H2
InChIKeyHZVIFGDJFNBTEQ-UHFFFAOYSA-N
MW1111.47 g/mol
LogP17.35
Rot. Bonds11

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

4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol (PubChem CID 158636490) has the molecular formula C75H82O8 and a molecular weight of 1111.47 g/mol. Its IUPAC name is 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
PubChem CID158636490
Molecular FormulaC75H82O8
Molecular Weight1111.47 g/mol
Exact Mass1110.60
IUPAC Name4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
SMILESCC(C)(C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1.Oc1ccc(C2(c3ccc(O)cc3)CCC(C3CCC(c4ccc(O)cc4)(c4ccc(O)cc4)CC3)CC2)cc1
InChIInChI=1S/C39H44O4.C36H38O4/c1-37(2,27-19-23-38(24-20-27,29-3-11-33(40)12-4-29)30-5-13-34(41)14-6-30)28-21-25-39(26-22-28,31-7-15-35(42)16-8-31)32-9-17-36(43)18-10-32;37-31-9-1-27(2-10-31)35(28-3-11-32(38)12-4-28)21-17-25(18-22-35)26-19-23-36(24-20-26,29-5-13-33(39)14-6-29)30-7-15-34(40)16-8-30/h3-18,27-28,40-43H,19-26H2,1-2H3;1-16,25-26,37-40H,17-24H2
InChIKeyHZVIFGDJFNBTEQ-UHFFFAOYSA-N
XLogP17.35
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.47
LogP ≤ 517.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 19873642
4-[4-[2-[3,5-bis[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]phenyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 59283725
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
CID 19873605
4-[4-[2-[3-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-yl]-1-cyclohexa-1,5-dien-1-ylcyclohexyl]phenol
CID 143736900
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
CID 11034267
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]phenol
CID 142700630
ethane;4-[1-(4-hydroxyphenyl)cyclotetradecyl]phenol
CID 144989464
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexyl]phenol
CID 139952304
4-[1-(4-hydroxyphenyl)cyclotridecyl]phenol
CID 59289752
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol
CID 139833129
4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
CID 149126952

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The IUPAC name of 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol (CID 158636490) is 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The canonical SMILES for 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol is CC(C)(C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1)C1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1.Oc1ccc(C2(c3ccc(O)cc3)CCC(C3CCC(c4ccc(O)cc4)(c4ccc(O)cc4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
The InChIKey is HZVIFGDJFNBTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44O4.C36H38O4/c1-37(2,27-19-23-38(24-20-27,29-3-11-33(40)12-4-29)30-5-13-34(41)14-6-30)28-21-25-39(26-22-28,31-7-15-35(42)16-8-31)32-9-17-36(43)18-10-32;37-31-9-1-27(2-10-31)35(28-3-11-32(38)12-4-28)21-17-25(18-22-35)26-19-23-36(24-20-26,29-5-13-33(39)14-6-29)30-7-15-34(40)16-8-30/h3-18,27-28,40-43H,19-26H2,1-2H3;1-16,25-26,37-40H,17-24H2.
What are the key properties of 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol?
4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol has a molecular weight of 1111.47 g/mol, XLogP of 17.35, 11 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-1-(4-hydroxyphenyl)cyclohexyl]phenol;4-[4-[2-[4,4-bis(4-hydroxyphenyl)cyclohexyl]propan-2-yl]-1-(4-hydroxyphenyl)cyclohexyl]phenol is sourced from PubChem (CID 158636490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).