1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene

C20H19Cl — CID 173123090

IUPAC1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=CCCC(Cl)=C2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19Cl/c1-14-6-10-16(11-7-14)18-4-3-5-19(21)20(18)17-12-8-15(2)9-13-17/h4,6-13H,3,5H2,1-2H3
InChIKeyVSRRLPQRPHYARM-UHFFFAOYSA-N
MW294.83 g/mol
LogP6.13
Rot. Bonds2

About 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene

1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene (PubChem CID 173123090) has the molecular formula C20H19Cl and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
PubChem CID173123090
Molecular FormulaC20H19Cl
Molecular Weight294.83 g/mol
Exact Mass294.12
IUPAC Name1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
SMILESCc1ccc(C2=CCCC(Cl)=C2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H19Cl/c1-14-6-10-16(11-7-14)18-4-3-5-19(21)20(18)17-12-8-15(2)9-13-17/h4,6-13H,3,5H2,1-2H3
InChIKeyVSRRLPQRPHYARM-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.83
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
CID 162400870
butane;1-(cyclobuten-1-yl)-4-methylbenzene;ethane
CID 145163186
4-(4-methylphenyl)-1-phenyl-6,7-dihydroindole
CID 130462068
3-(4-methylphenyl)-4,5-dihydro-1H-indene
CID 57241660
1-(cyclobuten-1-ylmethyl)-4-methylbenzene
CID 57287069
2,3-bis(4-methylphenyl)cyclopent-2-en-1-one
CID 10084074
1-methyl-4-[6-methyl-5-(2-methyl-3-prop-2-enylcyclopropen-1-yl)cyclohexa-1,5-dien-1-yl]benzene
CID 144661401
2-(4-fluoro-3-methylphenyl)cyclopent-2-en-1-one
CID 11469549
1-chloro-4-[6-methoxy-2-(3-methylphenyl)cyclohexa-1,5-dien-1-yl]benzene
CID 173189744
1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane
CID 144971692
1-chloro-4-methylbenzene;zinc
CID 174694335
carbon monoxide;1-chloro-4-methylbenzene;chromium(6+)
CID 11986165

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene?
The IUPAC name of 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene (CID 173123090) is 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene.
What is the SMILES notation for 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene?
The canonical SMILES for 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene is Cc1ccc(C2=CCCC(Cl)=C2c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene?
The InChIKey is VSRRLPQRPHYARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl/c1-14-6-10-16(11-7-14)18-4-3-5-19(21)20(18)17-12-8-15(2)9-13-17/h4,6-13H,3,5H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene?
1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene has a molecular weight of 294.83 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene is sourced from PubChem (CID 173123090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).