[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone

C20H20O — CID 172564854

IUPAC[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone
SMILESCC12CCCC1(c1ccc(C(=O)c3ccccc3)cc1)C2
InChIInChI=1S/C20H20O/c1-19-12-5-13-20(19,14-19)17-10-8-16(9-11-17)18(21)15-6-3-2-4-7-15/h2-4,6-11H,5,12-14H2,1H3
InChIKeyVMNCHRGGZGSOGX-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.75
Rot. Bonds3

About [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone

[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone (PubChem CID 172564854) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone
PubChem CID172564854
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone
SMILESCC12CCCC1(c1ccc(C(=O)c3ccccc3)cc1)C2
InChIInChI=1S/C20H20O/c1-19-12-5-13-20(19,14-19)17-10-8-16(9-11-17)18(21)15-6-3-2-4-7-15/h2-4,6-11H,5,12-14H2,1H3
InChIKeyVMNCHRGGZGSOGX-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone 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

diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
phenyl-[4-(trideuteriomethyl)phenyl]methanone
CID 71750207
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone (CID 172564854) is [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone is CC12CCCC1(c1ccc(C(=O)c3ccccc3)cc1)C2.
What is the InChIKey of [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone?
The InChIKey is VMNCHRGGZGSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-19-12-5-13-20(19,14-19)17-10-8-16(9-11-17)18(21)15-6-3-2-4-7-15/h2-4,6-11H,5,12-14H2,1H3.
What are the key properties of [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone?
[4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone has a molecular weight of 276.38 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1-bicyclo[3.1.0]hexanyl)phenyl]-phenylmethanone is sourced from PubChem (CID 172564854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).