1-(4-cycloheptylphenyl)propan-1-one

C16H22O — CID 174630933

IUPAC1-(4-cycloheptylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C16H22O/c1-2-16(17)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h9-13H,2-8H2,1H3
InChIKeyJXZPIAZERZDOKN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.72
Rot. Bonds3

About 1-(4-cycloheptylphenyl)propan-1-one

1-(4-cycloheptylphenyl)propan-1-one (PubChem CID 174630933) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4-cycloheptylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-cycloheptylphenyl)propan-1-one
PubChem CID174630933
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-(4-cycloheptylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C2CCCCCC2)cc1
InChIInChI=1S/C16H22O/c1-2-16(17)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h9-13H,2-8H2,1H3
InChIKeyJXZPIAZERZDOKN-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-cycloheptylphenyl)propan-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

1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
1-(4-cyclohexylphenyl)octan-1-one
CID 63491113
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 18336251
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
1-[4-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]phenyl]propan-1-one
CID 22825751
4-(4-cyclohexylphenyl)-4-oxobutanal
CID 175457718
1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849

Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptylphenyl)propan-1-one?
The IUPAC name of 1-(4-cycloheptylphenyl)propan-1-one (CID 174630933) is 1-(4-cycloheptylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-cycloheptylphenyl)propan-1-one?
The canonical SMILES for 1-(4-cycloheptylphenyl)propan-1-one is CCC(=O)c1ccc(C2CCCCCC2)cc1.
What is the InChIKey of 1-(4-cycloheptylphenyl)propan-1-one?
The InChIKey is JXZPIAZERZDOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-16(17)15-11-9-14(10-12-15)13-7-5-3-4-6-8-13/h9-13H,2-8H2,1H3.
What are the key properties of 1-(4-cycloheptylphenyl)propan-1-one?
1-(4-cycloheptylphenyl)propan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptylphenyl)propan-1-one is sourced from PubChem (CID 174630933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).