2,3-dicyclohexylphenol;4-phenylphenol

C30H36O2 — CID 68975565

IUPAC2,3-dicyclohexylphenol;4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1.Oc1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H26O.C12H10O/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h7,12-15,19H,1-6,8-11H2;1-9,13H
InChIKeyOWKYTJZHVICPMZ-UHFFFAOYSA-N
MW428.62 g/mol
LogP8.55
Rot. Bonds3

About 2,3-dicyclohexylphenol;4-phenylphenol

2,3-dicyclohexylphenol;4-phenylphenol (PubChem CID 68975565) has the molecular formula C30H36O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 2,3-dicyclohexylphenol;4-phenylphenol.

Molecular Properties

Compound Name2,3-dicyclohexylphenol;4-phenylphenol
PubChem CID68975565
Molecular FormulaC30H36O2
Molecular Weight428.62 g/mol
Exact Mass428.27
IUPAC Name2,3-dicyclohexylphenol;4-phenylphenol
SMILESOc1ccc(-c2ccccc2)cc1.Oc1cccc(C2CCCCC2)c1C1CCCCC1
InChIInChI=1S/C18H26O.C12H10O/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h7,12-15,19H,1-6,8-11H2;1-9,13H
InChIKeyOWKYTJZHVICPMZ-UHFFFAOYSA-N
XLogP8.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dicyclohexylphenol;4-phenylphenol?
The IUPAC name of 2,3-dicyclohexylphenol;4-phenylphenol (CID 68975565) is 2,3-dicyclohexylphenol;4-phenylphenol.
What is the SMILES notation for 2,3-dicyclohexylphenol;4-phenylphenol?
The canonical SMILES for 2,3-dicyclohexylphenol;4-phenylphenol is Oc1ccc(-c2ccccc2)cc1.Oc1cccc(C2CCCCC2)c1C1CCCCC1.
What is the InChIKey of 2,3-dicyclohexylphenol;4-phenylphenol?
The InChIKey is OWKYTJZHVICPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O.C12H10O/c19-17-13-7-12-16(14-8-3-1-4-9-14)18(17)15-10-5-2-6-11-15;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h7,12-15,19H,1-6,8-11H2;1-9,13H.
What are the key properties of 2,3-dicyclohexylphenol;4-phenylphenol?
2,3-dicyclohexylphenol;4-phenylphenol has a molecular weight of 428.62 g/mol, XLogP of 8.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexylphenol;4-phenylphenol is sourced from PubChem (CID 68975565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).