[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone

C14H11ClO — CID 154101904

IUPAC[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CC=CC1=CCl
InChIInChI=1S/C14H11ClO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-10,13H
InChIKeyGLTYJWKEDVRGJD-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.73
Rot. Bonds2

About [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone

[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone (PubChem CID 154101904) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone
PubChem CID154101904
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1C=CC=CC1=CCl
InChIInChI=1S/C14H11ClO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-10,13H
InChIKeyGLTYJWKEDVRGJD-UHFFFAOYSA-N
XLogP3.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[6-[(4-methylphenyl)methylidene]cyclohexa-2,4-dien-1-yl]-phenylmethanone;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 159515187
1-phenyl-2-(6-sulfanylidenecyclohexa-2,4-dien-1-yl)ethane-1,2-dione
CID 141358096
1-(6-benzylidenecyclohexa-2,4-dien-1-yl)-3-phenylprop-2-en-1-one;palladium
CID 175249285
(6-benzylidene-5-methylcyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 175755025
1-[6-[(4-chlorophenyl)hydrazinylidene]cyclohexa-2,4-dien-1-yl]-3-phenylpropane-1,3-dione
CID 174548096
(1-methyl-2H-pyridin-2-yl)-phenylmethanone
CID 19788053
5-(chloromethylidene)-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
CID 154104018
2-(cyclopenta-2,4-dien-1-ylmethyl)-1,3-diphenylpropane-1,3-dione
CID 15564916
6-benzoyl-2-nitrocyclohexa-2,4-dien-1-one
CID 87696100
2-cyclopenta-2,4-dien-1-yl-1-phenylprop-2-en-1-one
CID 136630217
benzoic acid;(1R,2S)-cyclohexa-3,5-diene-1,2-diol
CID 71406115
oxiran-2-yl(phenyl)methanone
CID 11788375

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The IUPAC name of [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone (CID 154101904) is [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone.
What is the SMILES notation for [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The canonical SMILES for [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone is O=C(c1ccccc1)C1C=CC=CC1=CCl.
What is the InChIKey of [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
The InChIKey is GLTYJWKEDVRGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h1-10,13H.
What are the key properties of [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone?
[6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone has a molecular weight of 230.69 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethylidene)cyclohexa-2,4-dien-1-yl]-phenylmethanone is sourced from PubChem (CID 154101904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).