(2-hexylphenyl)-(4-phenylphenyl)methanone

C25H26O — CID 151469512

IUPAC(2-hexylphenyl)-(4-phenylphenyl)methanone
SMILESCCCCCCc1ccccc1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-2-3-4-6-13-22-14-9-10-15-24(22)25(26)23-18-16-21(17-19-23)20-11-7-5-8-12-20/h5,7-12,14-19H,2-4,6,13H2,1H3
InChIKeyPKDYXONLVGOJJX-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.71
Rot. Bonds8

About (2-hexylphenyl)-(4-phenylphenyl)methanone

(2-hexylphenyl)-(4-phenylphenyl)methanone (PubChem CID 151469512) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is (2-hexylphenyl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(2-hexylphenyl)-(4-phenylphenyl)methanone
PubChem CID151469512
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name(2-hexylphenyl)-(4-phenylphenyl)methanone
SMILESCCCCCCc1ccccc1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-2-3-4-6-13-22-14-9-10-15-24(22)25(26)23-18-16-21(17-19-23)20-11-7-5-8-12-20/h5,7-12,14-19H,2-4,6,13H2,1H3
InChIKeyPKDYXONLVGOJJX-UHFFFAOYSA-N
XLogP6.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-hexylphenyl)-(4-phenylphenyl)methanone 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

phenyl-(2-tridecylphenyl)methanone
CID 159151783
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
CID 159889030
CID 159889030
azane;2-octylbenzoic acid
CID 70171834
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070
2-dodecylbenzenecarbothioic S-acid
CID 19748613
2-octylbenzamide
CID 11148995
magnesium bis(2-hexylbenzoate)
CID 70520345
zinc bis(2-heptylbenzoate)
CID 101299904

Frequently Asked Questions

What is the IUPAC name of (2-hexylphenyl)-(4-phenylphenyl)methanone?
The IUPAC name of (2-hexylphenyl)-(4-phenylphenyl)methanone (CID 151469512) is (2-hexylphenyl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (2-hexylphenyl)-(4-phenylphenyl)methanone?
The canonical SMILES for (2-hexylphenyl)-(4-phenylphenyl)methanone is CCCCCCc1ccccc1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-hexylphenyl)-(4-phenylphenyl)methanone?
The InChIKey is PKDYXONLVGOJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-2-3-4-6-13-22-14-9-10-15-24(22)25(26)23-18-16-21(17-19-23)20-11-7-5-8-12-20/h5,7-12,14-19H,2-4,6,13H2,1H3.
What are the key properties of (2-hexylphenyl)-(4-phenylphenyl)methanone?
(2-hexylphenyl)-(4-phenylphenyl)methanone has a molecular weight of 342.48 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hexylphenyl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 151469512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).