[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene

C13H17Cl — CID 130762341

IUPAC[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
SMILESClC[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C13H17Cl/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m0/s1
InChIKeyROGMLQINHPXVFT-STQMWFEESA-N
MW208.73 g/mol
LogP4.20
Rot. Bonds2

About [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene

[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene (PubChem CID 130762341) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
PubChem CID130762341
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene
SMILESClC[C@@H]1CCCC[C@H]1c1ccccc1
InChIInChI=1S/C13H17Cl/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m0/s1
InChIKeyROGMLQINHPXVFT-STQMWFEESA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.20
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

[(1S,2R)-2-prop-2-enylcyclohexyl]benzene
CID 101198941
cyclopentyl-bis[(2-phenylcyclopentyl)methyl]phosphane
CID 59045125
trimethyl-[(2-phenylcyclohexyl)methoxy]silane
CID 144768157
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
(2-butylcyclopentyl)benzene
CID 20616758
CID 20577144
CID 20577144
3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 122016808
N,N-dimethyl-2-phenylcyclohexan-1-amine
CID 14946175
2-N-[(2-phenylcyclohexyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 136554738
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317
1-bromo-2-phenylcycloheptane
CID 63510810

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene?
The IUPAC name of [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene (CID 130762341) is [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene.
What is the SMILES notation for [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene?
The canonical SMILES for [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene is ClC[C@@H]1CCCC[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene?
The InChIKey is ROGMLQINHPXVFT-STQMWFEESA-N. The full InChI is InChI=1S/C13H17Cl/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2/t12-,13-/m0/s1.
What are the key properties of [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene?
[(1R,2R)-2-(chloromethyl)cyclohexyl]benzene has a molecular weight of 208.73 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(chloromethyl)cyclohexyl]benzene is sourced from PubChem (CID 130762341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).