1-(2-chlorocyclohexen-1-yl)-4-methylbenzene

C13H15Cl — CID 162400870

IUPAC1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
SMILESCc1ccc(C2=C(Cl)CCCC2)cc1
InChIInChI=1S/C13H15Cl/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9H,2-5H2,1H3
InChIKeyMAUSGCHLWWPSPD-UHFFFAOYSA-N
MW206.72 g/mol
LogP4.52
Rot. Bonds1

About 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene

1-(2-chlorocyclohexen-1-yl)-4-methylbenzene (PubChem CID 162400870) has the molecular formula C13H15Cl and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
PubChem CID162400870
Molecular FormulaC13H15Cl
Molecular Weight206.72 g/mol
Exact Mass206.09
IUPAC Name1-(2-chlorocyclohexen-1-yl)-4-methylbenzene
SMILESCc1ccc(C2=C(Cl)CCCC2)cc1
InChIInChI=1S/C13H15Cl/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9H,2-5H2,1H3
InChIKeyMAUSGCHLWWPSPD-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-chlorocyclohexen-1-yl)benzene
CID 14737118
lithium 2-(4-methylphenyl)cyclohexen-1-olate
CID 102355144
1-bromo-4-[2-(4-methylphenyl)cyclopenten-1-yl]benzene
CID 145072722
5-(4-chlorophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
CID 132543433
1-methyl-4-[4-[2-[(E)-pent-2-en-2-yl]cyclohexen-1-yl]phenyl]benzene
CID 142529113
1-[2-chloro-6-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]-4-methylbenzene
CID 173123090
2,3-bis(4-methylphenyl)cyclopent-2-en-1-one
CID 10084074
5-(4-bromophenyl)-2-methyl-10-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[a]azulene
CID 132543434
3-(4-methylphenyl)-2-(propan-2-ylamino)cyclohex-2-en-1-one
CID 12604692
1-chloro-4-(4-methylphenyl)benzene;methanol;methylidenecyclopropane
CID 144971692
2-(ethylamino)-3-(4-methylphenyl)cyclohex-2-en-1-one
CID 12604684
1-chloro-4-methylbenzene;zinc
CID 174694335

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene?
The IUPAC name of 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene (CID 162400870) is 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene.
What is the SMILES notation for 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene?
The canonical SMILES for 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene is Cc1ccc(C2=C(Cl)CCCC2)cc1.
What is the InChIKey of 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene?
The InChIKey is MAUSGCHLWWPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14/h6-9H,2-5H2,1H3.
What are the key properties of 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene?
1-(2-chlorocyclohexen-1-yl)-4-methylbenzene has a molecular weight of 206.72 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorocyclohexen-1-yl)-4-methylbenzene is sourced from PubChem (CID 162400870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).