1-chloro-2-[chloro(cyclohexyl)methyl]benzene

C13H16Cl2 — CID 86209125

IUPAC1-chloro-2-[chloro(cyclohexyl)methyl]benzene
SMILESClc1ccccc1C(Cl)C1CCCCC1
InChIInChI=1S/C13H16Cl2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKeyXCSXDYDHRHNLTO-UHFFFAOYSA-N
MW243.18 g/mol
LogP5.20
Rot. Bonds2

About 1-chloro-2-[chloro(cyclohexyl)methyl]benzene

1-chloro-2-[chloro(cyclohexyl)methyl]benzene (PubChem CID 86209125) has the molecular formula C13H16Cl2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 1-chloro-2-[chloro(cyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[chloro(cyclohexyl)methyl]benzene
PubChem CID86209125
Molecular FormulaC13H16Cl2
Molecular Weight243.18 g/mol
Exact Mass242.06
IUPAC Name1-chloro-2-[chloro(cyclohexyl)methyl]benzene
SMILESClc1ccccc1C(Cl)C1CCCCC1
InChIInChI=1S/C13H16Cl2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKeyXCSXDYDHRHNLTO-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.18
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
CID 79597392
2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
CID 105498571
(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
CID 27137488
[(2-chlorophenyl)-cyclopentylmethyl]hydrazine
CID 91756387
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclohexylethanamine
CID 81384547
[chloro-(2-chloro-4-methoxyphenyl)methyl]cycloheptane
CID 55200253
3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
CID 82092094
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopentylethanamine
CID 81395665
2-chloro-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 62224606
2-(2-chlorophenyl)-2-cyclobutylethanamine
CID 83688611

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro(cyclohexyl)methyl]benzene?
The IUPAC name of 1-chloro-2-[chloro(cyclohexyl)methyl]benzene (CID 86209125) is 1-chloro-2-[chloro(cyclohexyl)methyl]benzene.
What is the SMILES notation for 1-chloro-2-[chloro(cyclohexyl)methyl]benzene?
The canonical SMILES for 1-chloro-2-[chloro(cyclohexyl)methyl]benzene is Clc1ccccc1C(Cl)C1CCCCC1.
What is the InChIKey of 1-chloro-2-[chloro(cyclohexyl)methyl]benzene?
The InChIKey is XCSXDYDHRHNLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2.
What are the key properties of 1-chloro-2-[chloro(cyclohexyl)methyl]benzene?
1-chloro-2-[chloro(cyclohexyl)methyl]benzene has a molecular weight of 243.18 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro(cyclohexyl)methyl]benzene is sourced from PubChem (CID 86209125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).