3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol

C24H30O2 — CID 22465222

IUPAC3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol
SMILESOc1ccccc1-c1c(O)ccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C24H30O2/c25-21-14-8-7-13-20(21)24-22(26)16-15-19(17-9-3-1-4-10-17)23(24)18-11-5-2-6-12-18/h7-8,13-18,25-26H,1-6,9-12H2
InChIKeyQKYQQCIQPLGVDE-UHFFFAOYSA-N
MW350.50 g/mol
LogP6.86
Rot. Bonds3

About 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol

3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol (PubChem CID 22465222) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol.

Molecular Properties

Compound Name3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol
PubChem CID22465222
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Name3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol
SMILESOc1ccccc1-c1c(O)ccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C24H30O2/c25-21-14-8-7-13-20(21)24-22(26)16-15-19(17-9-3-1-4-10-17)23(24)18-11-5-2-6-12-18/h7-8,13-18,25-26H,1-6,9-12H2
InChIKeyQKYQQCIQPLGVDE-UHFFFAOYSA-N
XLogP6.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol?
The IUPAC name of 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol (CID 22465222) is 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol.
What is the SMILES notation for 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol?
The canonical SMILES for 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol is Oc1ccccc1-c1c(O)ccc(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol?
The InChIKey is QKYQQCIQPLGVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c25-21-14-8-7-13-20(21)24-22(26)16-15-19(17-9-3-1-4-10-17)23(24)18-11-5-2-6-12-18/h7-8,13-18,25-26H,1-6,9-12H2.
What are the key properties of 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol?
3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol has a molecular weight of 350.50 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol is sourced from PubChem (CID 22465222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).