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

C32H40O3 — CID 22508127

IUPAC4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(O)ccc1C1(c2ccc(O)cc2CC(C)C)CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C32H40O3/c1-21(2)17-25-19-28(34)9-11-30(25)32(31-12-10-29(35)20-26(31)18-22(3)4)15-13-24(14-16-32)23-5-7-27(33)8-6-23/h5-12,19-22,24,33-35H,13-18H2,1-4H3
InChIKeyPWXPRROXDNKJJP-UHFFFAOYSA-N
MW472.67 g/mol
LogP7.84
Rot. Bonds7

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

4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol (PubChem CID 22508127) has the molecular formula C32H40O3 and a molecular weight of 472.67 g/mol. Its IUPAC name is 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol
PubChem CID22508127
Molecular FormulaC32H40O3
Molecular Weight472.67 g/mol
Exact Mass472.30
IUPAC Name4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol
SMILESCC(C)Cc1cc(O)ccc1C1(c2ccc(O)cc2CC(C)C)CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C32H40O3/c1-21(2)17-25-19-28(34)9-11-30(25)32(31-12-10-29(35)20-26(31)18-22(3)4)15-13-24(14-16-32)23-5-7-27(33)8-6-23/h5-12,19-22,24,33-35H,13-18H2,1-4H3
InChIKeyPWXPRROXDNKJJP-UHFFFAOYSA-N
XLogP7.84
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 57.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol?
The IUPAC name of 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol (CID 22508127) is 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol.
What is the SMILES notation for 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol?
The canonical SMILES for 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol is CC(C)Cc1cc(O)ccc1C1(c2ccc(O)cc2CC(C)C)CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol?
The InChIKey is PWXPRROXDNKJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40O3/c1-21(2)17-25-19-28(34)9-11-30(25)32(31-12-10-29(35)20-26(31)18-22(3)4)15-13-24(14-16-32)23-5-7-27(33)8-6-23/h5-12,19-22,24,33-35H,13-18H2,1-4H3.
What are the key properties of 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol?
4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol has a molecular weight of 472.67 g/mol, XLogP of 7.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-hydroxy-2-(2-methylpropyl)phenyl]-4-(4-hydroxyphenyl)cyclohexyl]-3-(2-methylpropyl)phenol is sourced from PubChem (CID 22508127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).