4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol

C33H40O3 — CID 139952383

IUPAC4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol
SMILESCC(C)CC1CCC(c2ccc(O)cc2)(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1
InChIInChI=1S/C33H40O3/c1-23(2)21-24-15-18-33(22-24,27-7-13-31(36)14-8-27)28-16-19-32(20-17-28,25-3-9-29(34)10-4-25)26-5-11-30(35)12-6-26/h3-14,23-24,28,34-36H,15-22H2,1-2H3
InChIKeyBLZSLXCVYSRQND-UHFFFAOYSA-N
MW484.68 g/mol
LogP8.06
Rot. Bonds6

About 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol

4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol (PubChem CID 139952383) has the molecular formula C33H40O3 and a molecular weight of 484.68 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol
PubChem CID139952383
Molecular FormulaC33H40O3
Molecular Weight484.68 g/mol
Exact Mass484.30
IUPAC Name4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol
SMILESCC(C)CC1CCC(c2ccc(O)cc2)(C2CCC(c3ccc(O)cc3)(c3ccc(O)cc3)CC2)C1
InChIInChI=1S/C33H40O3/c1-23(2)21-24-15-18-33(22-24,27-7-13-31(36)14-8-27)28-16-19-32(20-17-28,25-3-9-29(34)10-4-25)26-5-11-30(35)12-6-26/h3-14,23-24,28,34-36H,15-22H2,1-2H3
InChIKeyBLZSLXCVYSRQND-UHFFFAOYSA-N
XLogP8.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 58.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexyl]phenol
CID 139952370
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]phenol
CID 11034267
4-[4-(4-ethylcyclohexyl)-1-(4-hydroxyphenyl)cyclohexyl]phenol
CID 19873642
4-[(3R,4R)-1-(4-hydroxyphenyl)-3,4-dimethylcyclohexyl]phenol
CID 2303370
4-(3-azabicyclo[3.2.0]heptan-1-yl)phenol
CID 84771191
4-[1-(4-hydroxyphenyl)-4-propylcyclohexyl]benzene-1,2-diol
CID 139833129
4-[1-(3,4-difluorophenyl)-4-methylcyclohexyl]phenol
CID 149126952
4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one
CID 139952391
4-[1-(4-hydroxyphenyl)-4-(4-nonylcyclohexyl)cyclohexyl]phenol
CID 19873605
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
4-[1-[4,4-bis(4-hydroxyphenyl)cyclohexyl]-3-methylpentyl]phenol
CID 139952328
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol (CID 139952383) is 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol is CC(C)CC1CCC(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-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol?
The InChIKey is BLZSLXCVYSRQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O3/c1-23(2)21-24-15-18-33(22-24,27-7-13-31(36)14-8-27)28-16-19-32(20-17-28,25-3-9-29(34)10-4-25)26-5-11-30(35)12-6-26/h3-14,23-24,28,34-36H,15-22H2,1-2H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol?
4-[1-(4-hydroxyphenyl)-4-[1-(4-hydroxyphenyl)-3-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol has a molecular weight of 484.68 g/mol, XLogP of 8.06, 6 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-(2-methylpropyl)cyclopentyl]cyclohexyl]phenol is sourced from PubChem (CID 139952383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).