[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone

C13H9ClO — CID 91802156

IUPAC[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESO=C=C1C=CC=CC1c1ccccc1Cl
InChIInChI=1S/C13H9ClO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8,11H
InChIKeyOCBPFTANAUPDPT-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.31
Rot. Bonds1

About [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone

[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone (PubChem CID 91802156) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone.

Molecular Properties

Compound Name[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone
PubChem CID91802156
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESO=C=C1C=CC=CC1c1ccccc1Cl
InChIInChI=1S/C13H9ClO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8,11H
InChIKeyOCBPFTANAUPDPT-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

6-(2-chlorophenyl)cyclohexa-2,4-dien-1-one
CID 169094136
tricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaen-13-one
CID 101227628
(1S,8R)-13-methylidenetricyclo[6.4.1.02,7]trideca-2,4,6,9,11-pentaene
CID 95564771
bis(4a,9-dihydrofluoren-9-ide);methylidenetitanium(2+);dichloride
CID 87903661
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
6-(2-fluorophenyl)cyclohexa-2,4-diene-1-thione
CID 173008157
2-(2-chlorophenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-1,3-dione
CID 22417598
[6-[5-(4-chlorophenyl)-3-ethoxy-4-(triazol-1-yl)furan-2-yl]cyclohexa-2,4-dien-1-ylidene]methanone
CID 88720650
N-(2-chlorophenyl)-4bH-carbazol-3-amine
CID 158042436
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
(2S,3S)-3-(2-chlorophenyl)bicyclo[2.2.2]octane-2-carbonitrile
CID 18610714
(2R)-2-(2-chlorophenyl)-1-(4-chlorophenyl)aziridine
CID 102086135

Frequently Asked Questions

What is the IUPAC name of [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The IUPAC name of [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone (CID 91802156) is [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone.
What is the SMILES notation for [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The canonical SMILES for [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone is O=C=C1C=CC=CC1c1ccccc1Cl.
What is the InChIKey of [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The InChIKey is OCBPFTANAUPDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-8,11H.
What are the key properties of [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone?
[6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone has a molecular weight of 216.67 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-chlorophenyl)cyclohexa-2,4-dien-1-ylidene]methanone is sourced from PubChem (CID 91802156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).