1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene

C15H19Cl — CID 65177498

IUPAC1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC2=CC(Cl)CCC2)c1
InChIInChI=1S/C15H19Cl/c1-11-6-12(2)8-14(7-11)9-13-4-3-5-15(16)10-13/h6-8,10,15H,3-5,9H2,1-2H3
InChIKeyBWUKUWGLIDLTQO-UHFFFAOYSA-N
MW234.77 g/mol
LogP4.56
Rot. Bonds2

About 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene

1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene (PubChem CID 65177498) has the molecular formula C15H19Cl and a molecular weight of 234.77 g/mol. Its IUPAC name is 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene
PubChem CID65177498
Molecular FormulaC15H19Cl
Molecular Weight234.77 g/mol
Exact Mass234.12
IUPAC Name1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CC2=CC(Cl)CCC2)c1
InChIInChI=1S/C15H19Cl/c1-11-6-12(2)8-14(7-11)9-13-4-3-5-15(16)10-13/h6-8,10,15H,3-5,9H2,1-2H3
InChIKeyBWUKUWGLIDLTQO-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene (CID 65177498) is 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene is Cc1cc(C)cc(CC2=CC(Cl)CCC2)c1.
What is the InChIKey of 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene?
The InChIKey is BWUKUWGLIDLTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl/c1-11-6-12(2)8-14(7-11)9-13-4-3-5-15(16)10-13/h6-8,10,15H,3-5,9H2,1-2H3.
What are the key properties of 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene?
1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene has a molecular weight of 234.77 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorocyclohexen-1-yl)methyl]-3,5-dimethylbenzene is sourced from PubChem (CID 65177498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).