1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone

C14H14O — CID 163869651

IUPAC1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-7,9H,8,10H2,1H3
InChIKeyPJQXUFJSRWPHDI-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone

1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone (PubChem CID 163869651) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone
PubChem CID163869651
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=C(c2ccccc2)CC1
InChIInChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-7,9H,8,10H2,1H3
InChIKeyPJQXUFJSRWPHDI-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-(4-acetylcyclohexa-1,3-dien-1-yl)cyclohepta-1,3-diene-1-carboxylate
CID 138657175
4-(4-butylphenyl)cyclohexa-1,3-diene-1-carboxylic acid
CID 123866624
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
(Z)-N,N'-dimethyl-1-(4-phenylcyclohexa-1,3-dien-1-yl)-3-(4-phenylphenyl)prop-1-ene-1,3-diamine
CID 145334347
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
1-azulen-2-ylethanone
CID 15255141
1,2-dimethyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70700084
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene
CID 156827134
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone?
The IUPAC name of 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone (CID 163869651) is 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone?
The canonical SMILES for 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone is CC(=O)C1=CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone?
The InChIKey is PJQXUFJSRWPHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-7,9H,8,10H2,1H3.
What are the key properties of 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone?
1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone is sourced from PubChem (CID 163869651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).