1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone

C15H14O — CID 143363628

IUPAC1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone
SMILESCC(=O)c1ccc(C2=CCC=CC=C2)cc1
InChIInChI=1S/C15H14O/c1-12(16)13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h2-4,6-11H,5H2,1H3
InChIKeyGDBNZSBZROMQHW-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.79
Rot. Bonds2

About 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone

1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone (PubChem CID 143363628) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone
PubChem CID143363628
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone
SMILESCC(=O)c1ccc(C2=CCC=CC=C2)cc1
InChIInChI=1S/C15H14O/c1-12(16)13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h2-4,6-11H,5H2,1H3
InChIKeyGDBNZSBZROMQHW-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone 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-tert-butylphenyl)ethanone;4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine;1-morpholin-4-ylethanone
CID 143584359
1-(4-acetylphenyl)ethanone;methane
CID 159515104
4-cyclohepta-1,4,6-trien-1-yl-2-methylpyridine
CID 143584360
1-[4-(1,1-dioxo-2,5-dihydrothiophen-3-yl)phenyl]ethanone
CID 112757744
9-(4-cyclohepta-1,4,6-trien-1-ylphenyl)carbazole;ethane;propane
CID 154692605
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-tert-butyl-4-cyclopenta-1,4-dien-1-ylbenzene
CID 19103892
1-(4-dimethylsilylphenyl)ethanone
CID 124706896
1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone
CID 105465962

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone?
The IUPAC name of 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone (CID 143363628) is 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone?
The canonical SMILES for 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone is CC(=O)c1ccc(C2=CCC=CC=C2)cc1.
What is the InChIKey of 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone?
The InChIKey is GDBNZSBZROMQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-12(16)13-8-10-15(11-9-13)14-6-4-2-3-5-7-14/h2-4,6-11H,5H2,1H3.
What are the key properties of 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone?
1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone has a molecular weight of 210.28 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohepta-1,4,6-trien-1-ylphenyl)ethanone is sourced from PubChem (CID 143363628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).