1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene

C12H10Cl2 — CID 174755041

IUPAC1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene
SMILESClc1ccc([C@@H]2C=CC=CC2)cc1Cl
InChIInChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-4,6-9H,5H2/t9-/m1/s1
InChIKeyQGVKGXLHRHPJJQ-SECBINFHSA-N
MW225.12 g/mol
LogP4.59
Rot. Bonds1

About 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene

1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene (PubChem CID 174755041) has the molecular formula C12H10Cl2 and a molecular weight of 225.12 g/mol. Its IUPAC name is 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene
PubChem CID174755041
Molecular FormulaC12H10Cl2
Molecular Weight225.12 g/mol
Exact Mass224.02
IUPAC Name1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene
SMILESClc1ccc([C@@H]2C=CC=CC2)cc1Cl
InChIInChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-4,6-9H,5H2/t9-/m1/s1
InChIKeyQGVKGXLHRHPJJQ-SECBINFHSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene?
The IUPAC name of 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene (CID 174755041) is 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene?
The canonical SMILES for 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene is Clc1ccc([C@@H]2C=CC=CC2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene?
The InChIKey is QGVKGXLHRHPJJQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H10Cl2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-4,6-9H,5H2/t9-/m1/s1.
What are the key properties of 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene?
1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene has a molecular weight of 225.12 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[(1S)-cyclohexa-2,4-dien-1-yl]benzene is sourced from PubChem (CID 174755041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).