4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol

C31H36O3 — CID 139952370

IUPAC4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol
SMILESCC1CCCC(c2ccc(O)cc2)(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1
InChIInChI=1S/C31H36O3/c1-22-3-2-18-31(21-22,25-8-14-29(34)15-9-25)26-16-19-30(20-17-26,23-4-10-27(32)11-5-23)24-6-12-28(33)13-7-24/h4-15,22,26,32-34H,2-3,16-21H2,1H3
InChIKeyXOTGCZGHEYAFNN-UHFFFAOYSA-N
MW456.63 g/mol
LogP7.43
Rot. Bonds4

About 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol

4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol (PubChem CID 139952370) has the molecular formula C31H36O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol
PubChem CID139952370
Molecular FormulaC31H36O3
Molecular Weight456.63 g/mol
Exact Mass456.27
IUPAC Name4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol
SMILESCC1CCCC(c2ccc(O)cc2)(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1
InChIInChI=1S/C31H36O3/c1-22-3-2-18-31(21-22,25-8-14-29(34)15-9-25)26-16-19-30(20-17-26,23-4-10-27(32)11-5-23)24-6-12-28(33)13-7-24/h4-15,22,26,32-34H,2-3,16-21H2,1H3
InChIKeyXOTGCZGHEYAFNN-UHFFFAOYSA-N
XLogP7.43
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 57.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol (CID 139952370) is 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol is CC1CCCC(c2ccc(O)cc2)(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol?
The InChIKey is XOTGCZGHEYAFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36O3/c1-22-3-2-18-31(21-22,25-8-14-29(34)15-9-25)26-16-19-30(20-17-26,23-4-10-27(32)11-5-23)24-6-12-28(33)13-7-24/h4-15,22,26,32-34H,2-3,16-21H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol has a molecular weight of 456.63 g/mol, XLogP of 7.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol is sourced from PubChem (CID 139952370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).