1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone

C14H14O — CID 126694355

IUPAC1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
SMILESCC(=O)c1cccc(C2=CCCC=C2)c1
InChIInChI=1S/C14H14O/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h3,5-10H,2,4H2,1H3
InChIKeyRUSDEJBJJSOXRS-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.62
Rot. Bonds2

About 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone

1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone (PubChem CID 126694355) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
PubChem CID126694355
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone
SMILESCC(=O)c1cccc(C2=CCCC=C2)c1
InChIInChI=1S/C14H14O/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h3,5-10H,2,4H2,1H3
InChIKeyRUSDEJBJJSOXRS-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-cyclohexa-1,5-dien-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-(3-cyclohexa-1,5-dien-1-yl-5-pyridin-2-ylphenyl)ethanone
CID 163743878
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143808839
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
1-[3-(3-chlorophenyl)phenyl]ethanone
CID 4304570
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
methyl 5-cyclohexa-1,5-dien-1-yl-2-methylbenzoate
CID 144961062
1-[3-(2-methyl-3H-pyrrol-4-yl)phenyl]ethanone
CID 167579278
1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
4-(3-acetylphenyl)pyridine-2-carboxylic acid
CID 53223096
1-azulen-2-ylethanone
CID 15255141
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone?
The IUPAC name of 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone (CID 126694355) is 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone?
The canonical SMILES for 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone is CC(=O)c1cccc(C2=CCCC=C2)c1.
What is the InChIKey of 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone?
The InChIKey is RUSDEJBJJSOXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-11(15)13-8-5-9-14(10-13)12-6-3-2-4-7-12/h3,5-10H,2,4H2,1H3.
What are the key properties of 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone?
1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexa-1,5-dien-1-ylphenyl)ethanone is sourced from PubChem (CID 126694355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).