4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol

C24H32O2 — CID 139944971

IUPAC4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol
SMILESCC(C)C(C)C(c1ccc(O)cc1)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H32O2/c1-16(2)17(3)24(21-10-14-23(26)15-11-21)20-6-4-18(5-7-20)19-8-12-22(25)13-9-19/h8-18,20,24-26H,4-7H2,1-3H3
InChIKeyLDKKBTDZRBAMTO-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.45
Rot. Bonds5

About 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol

4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol (PubChem CID 139944971) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol.

Molecular Properties

Compound Name4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol
PubChem CID139944971
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol
SMILESCC(C)C(C)C(c1ccc(O)cc1)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C24H32O2/c1-16(2)17(3)24(21-10-14-23(26)15-11-21)20-6-4-18(5-7-20)19-8-12-22(25)13-9-19/h8-18,20,24-26H,4-7H2,1-3H3
InChIKeyLDKKBTDZRBAMTO-UHFFFAOYSA-N
XLogP6.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol?
The IUPAC name of 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol (CID 139944971) is 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol.
What is the SMILES notation for 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol?
The canonical SMILES for 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol is CC(C)C(C)C(c1ccc(O)cc1)C1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol?
The InChIKey is LDKKBTDZRBAMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2/c1-16(2)17(3)24(21-10-14-23(26)15-11-21)20-6-4-18(5-7-20)19-8-12-22(25)13-9-19/h8-18,20,24-26H,4-7H2,1-3H3.
What are the key properties of 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol?
4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol has a molecular weight of 352.52 g/mol, XLogP of 6.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-hydroxyphenyl)-2,3-dimethylbutyl]cyclohexyl]phenol is sourced from PubChem (CID 139944971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).