3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one

C23H28O — CID 11723546

IUPAC3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
SMILESCCCCCc1ccc(-c2ccc(C3CCCC(=O)C3)cc2)cc1
InChIInChI=1S/C23H28O/c1-2-3-4-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-7-5-8-23(24)17-22/h9-16,22H,2-8,17H2,1H3
InChIKeyVAEZXFPQCAIKIT-UHFFFAOYSA-N
MW320.48 g/mol
LogP6.31
Rot. Bonds6

About 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one

3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one (PubChem CID 11723546) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
PubChem CID11723546
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one
SMILESCCCCCc1ccc(-c2ccc(C3CCCC(=O)C3)cc2)cc1
InChIInChI=1S/C23H28O/c1-2-3-4-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-7-5-8-23(24)17-22/h9-16,22H,2-8,17H2,1H3
InChIKeyVAEZXFPQCAIKIT-UHFFFAOYSA-N
XLogP6.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-propylphenyl)cyclohexan-1-one
CID 64521897
4-[4-(4-octylphenyl)phenyl]-1-(3-oxocyclohexyl)cyclohexane-1-carbonitrile
CID 23041210
1-[(1R)-3-oxocyclohexyl]-4-(4-pentylphenyl)cyclohexane-1-carbonitrile
CID 18640270
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
3-[4-(4-pentylphenyl)phenyl]azetidine
CID 154791464
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one?
The IUPAC name of 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one (CID 11723546) is 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one?
The canonical SMILES for 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one is CCCCCc1ccc(-c2ccc(C3CCCC(=O)C3)cc2)cc1.
What is the InChIKey of 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one?
The InChIKey is VAEZXFPQCAIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-2-3-4-6-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-7-5-8-23(24)17-22/h9-16,22H,2-8,17H2,1H3.
What are the key properties of 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one?
3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one has a molecular weight of 320.48 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-pentylphenyl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 11723546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).