(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone

C18H22O — CID 103450541

IUPAC(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone
SMILESO=C(C1=CCCCCC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H22O/c19-18(16-6-3-1-2-4-7-16)17-12-10-15(11-13-17)14-8-5-9-14/h6,10-14H,1-5,7-9H2
InChIKeyUXACCHUBZODAEC-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.03
Rot. Bonds3

About (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone

(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone (PubChem CID 103450541) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone
PubChem CID103450541
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone
SMILESO=C(C1=CCCCCC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H22O/c19-18(16-6-3-1-2-4-7-16)17-12-10-15(11-13-17)14-8-5-9-14/h6,10-14H,1-5,7-9H2
InChIKeyUXACCHUBZODAEC-UHFFFAOYSA-N
XLogP5.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone (CID 103450541) is (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone is O=C(C1=CCCCCC1)c1ccc(C2CCC2)cc1.
What is the InChIKey of (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone?
The InChIKey is UXACCHUBZODAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c19-18(16-6-3-1-2-4-7-16)17-12-10-15(11-13-17)14-8-5-9-14/h6,10-14H,1-5,7-9H2.
What are the key properties of (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone?
(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone is sourced from PubChem (CID 103450541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).