1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene

C12H11Cl — CID 13139025

IUPAC1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
SMILESClc1ccc(C2C=CC=CC2)cc1
InChIInChI=1S/C12H11Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-4,6-10H,5H2
InChIKeyVOQGMVQMSMVNAZ-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.94
Rot. Bonds1

About 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene

1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene (PubChem CID 13139025) has the molecular formula C12H11Cl and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene.

Molecular Properties

Compound Name1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
PubChem CID13139025
Molecular FormulaC12H11Cl
Molecular Weight190.67 g/mol
Exact Mass190.05
IUPAC Name1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
SMILESClc1ccc(C2C=CC=CC2)cc1
InChIInChI=1S/C12H11Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-4,6-10H,5H2
InChIKeyVOQGMVQMSMVNAZ-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene
CID 174755041
(4-cyclohexa-2,4-dien-1-ylphenyl)-methylazanium
CID 145025036
2-(4-cyclohexa-2,4-dien-1-ylphenyl)propan-2-amine
CID 145073957
4-cyclohexa-2,4-dien-1-ylpyridine
CID 141178072
1-cyclohexa-2,4-dien-1-yl-4-(4-iodophenyl)benzene
CID 126515673
2-chloro-5-cyclohexa-2,4-dien-1-ylpyrimidine
CID 123707586
4-cyclohexa-2,4-dien-1-ylbenzamide
CID 154350232
4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
CID 173062181
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
4-chloro-2-cyclohexa-2,4-dien-1-yl-1-isothiocyanatobenzene
CID 163660101
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene?
The IUPAC name of 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene (CID 13139025) is 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene.
What is the SMILES notation for 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene?
The canonical SMILES for 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene is Clc1ccc(C2C=CC=CC2)cc1.
What is the InChIKey of 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene?
The InChIKey is VOQGMVQMSMVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-4,6-10H,5H2.
What are the key properties of 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene?
1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene has a molecular weight of 190.67 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene is sourced from PubChem (CID 13139025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).