1,1'-biphenyl;2-pentylcyclohexan-1-one

C23H30O — CID 174847446

IUPAC1,1'-biphenyl;2-pentylcyclohexan-1-one
SMILESCCCCCC1CCCCC1=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H20O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-7-10-8-5-6-9-11(10)12/h1-10H;10H,2-9H2,1H3
InChIKeyFOMXEKFUAVAJFV-UHFFFAOYSA-N
MW322.49 g/mol
LogP6.68
Rot. Bonds5

About 1,1'-biphenyl;2-pentylcyclohexan-1-one

1,1'-biphenyl;2-pentylcyclohexan-1-one (PubChem CID 174847446) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is 1,1'-biphenyl;2-pentylcyclohexan-1-one.

Molecular Properties

Compound Name1,1'-biphenyl;2-pentylcyclohexan-1-one
PubChem CID174847446
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name1,1'-biphenyl;2-pentylcyclohexan-1-one
SMILESCCCCCC1CCCCC1=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H20O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-7-10-8-5-6-9-11(10)12/h1-10H;10H,2-9H2,1H3
InChIKeyFOMXEKFUAVAJFV-UHFFFAOYSA-N
XLogP6.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-pentylcyclohexan-1-one?
The IUPAC name of 1,1'-biphenyl;2-pentylcyclohexan-1-one (CID 174847446) is 1,1'-biphenyl;2-pentylcyclohexan-1-one.
What is the SMILES notation for 1,1'-biphenyl;2-pentylcyclohexan-1-one?
The canonical SMILES for 1,1'-biphenyl;2-pentylcyclohexan-1-one is CCCCCC1CCCCC1=O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-pentylcyclohexan-1-one?
The InChIKey is FOMXEKFUAVAJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C11H20O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-7-10-8-5-6-9-11(10)12/h1-10H;10H,2-9H2,1H3.
What are the key properties of 1,1'-biphenyl;2-pentylcyclohexan-1-one?
1,1'-biphenyl;2-pentylcyclohexan-1-one has a molecular weight of 322.49 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-pentylcyclohexan-1-one is sourced from PubChem (CID 174847446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).