1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene

C13H17ClO — CID 101108843

IUPAC1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene
SMILESCOc1ccccc1[C@H]1CCCC[C@H]1Cl
InChIInChI=1S/C13H17ClO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t10-,12-/m1/s1
InChIKeyIKHMQTLSZQHOPZ-ZYHUDNBSSA-N
MW224.73 g/mol
LogP3.96
Rot. Bonds2

About 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene

1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene (PubChem CID 101108843) has the molecular formula C13H17ClO and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene
PubChem CID101108843
Molecular FormulaC13H17ClO
Molecular Weight224.73 g/mol
Exact Mass224.10
IUPAC Name1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene
SMILESCOc1ccccc1[C@H]1CCCC[C@H]1Cl
InChIInChI=1S/C13H17ClO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t10-,12-/m1/s1
InChIKeyIKHMQTLSZQHOPZ-ZYHUDNBSSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
[2-(2-chlorocyclohexyl)phenyl] propanoate
CID 70448783
1-chloro-3-(2-methoxyphenyl)cycloheptane
CID 64507062
1-(3-bromo-2,4-dimethoxyphenyl)-2-chlorocycloheptane
CID 103523791
1-methoxy-2-(2-methylcyclopropyl)benzene
CID 12651013
2-[2-(2-methoxyphenyl)cyclohexyl]acetic acid
CID 66651942
cis-(1R,2R)-2-(2-methoxyphenyl)cyclopropan-1-amine
CID 39235873
1-(3-chlorocyclohexyl)-2-methoxybenzene
CID 64516358
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
1-methoxy-2-(2-propan-2-ylcyclopropyl)benzene
CID 139322901
4-methoxy-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
CID 84683089
(1S,2R)-2-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 10848491

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene?
The IUPAC name of 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene (CID 101108843) is 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene?
The canonical SMILES for 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene is COc1ccccc1[C@H]1CCCC[C@H]1Cl.
What is the InChIKey of 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene?
The InChIKey is IKHMQTLSZQHOPZ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H17ClO/c1-15-13-9-5-3-7-11(13)10-6-2-4-8-12(10)14/h3,5,7,9-10,12H,2,4,6,8H2,1H3/t10-,12-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene?
1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene has a molecular weight of 224.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-chlorocyclohexyl]-2-methoxybenzene is sourced from PubChem (CID 101108843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).