1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene

C15H18Cl2 — CID 65174913

IUPAC1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene
SMILESCC1(C)CC(Cc2ccccc2Cl)=CC(Cl)C1
InChIInChI=1S/C15H18Cl2/c1-15(2)9-11(8-13(16)10-15)7-12-5-3-4-6-14(12)17/h3-6,8,13H,7,9-10H2,1-2H3
InChIKeyFFPCLUGFLNQYRO-UHFFFAOYSA-N
MW269.21 g/mol
LogP5.24
Rot. Bonds2

About 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene

1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene (PubChem CID 65174913) has the molecular formula C15H18Cl2 and a molecular weight of 269.21 g/mol. Its IUPAC name is 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene
PubChem CID65174913
Molecular FormulaC15H18Cl2
Molecular Weight269.21 g/mol
Exact Mass268.08
IUPAC Name1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene
SMILESCC1(C)CC(Cc2ccccc2Cl)=CC(Cl)C1
InChIInChI=1S/C15H18Cl2/c1-15(2)9-11(8-13(16)10-15)7-12-5-3-4-6-14(12)17/h3-6,8,13H,7,9-10H2,1-2H3
InChIKeyFFPCLUGFLNQYRO-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.21
LogP ≤ 55.24
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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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-ol
CID 65174607
7-chloro-2-(3-chloro-5,5-dimethylcyclohexen-1-yl)-1-benzofuran
CID 114734014
3-[(2-chlorophenyl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116538974
3-[(2-chlorophenyl)methyl]-4,4-dimethyl-5H-1,2-oxazole
CID 164523796
3-[(2-chlorophenyl)methoxy]-3-methylpiperidine
CID 107385905
CID 88515237
CID 88515237
2-(2-chlorophenyl)-N-(3,3-dimethylcyclopentyl)acetamide
CID 113345428
3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one
CID 65172349
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 80693498
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine
CID 53230360
1,3-dichloro-2-[(3-chlorocyclopenten-1-yl)methyl]benzene
CID 65174071

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene?
The IUPAC name of 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene (CID 65174913) is 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene.
What is the SMILES notation for 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene?
The canonical SMILES for 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene is CC1(C)CC(Cc2ccccc2Cl)=CC(Cl)C1.
What is the InChIKey of 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene?
The InChIKey is FFPCLUGFLNQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2/c1-15(2)9-11(8-13(16)10-15)7-12-5-3-4-6-14(12)17/h3-6,8,13H,7,9-10H2,1-2H3.
What are the key properties of 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene?
1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene has a molecular weight of 269.21 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]benzene is sourced from PubChem (CID 65174913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).