3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene

C14H18BrClO2 — CID 103523936

IUPAC3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C2CCCC(Cl)C2)c(OC)c1Br
InChIInChI=1S/C14H18BrClO2/c1-17-12-7-6-11(14(18-2)13(12)15)9-4-3-5-10(16)8-9/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyOQJLVZXQTKEMQO-UHFFFAOYSA-N
MW333.65 g/mol
LogP4.73
Rot. Bonds3

About 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene

3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene (PubChem CID 103523936) has the molecular formula C14H18BrClO2 and a molecular weight of 333.65 g/mol. Its IUPAC name is 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene
PubChem CID103523936
Molecular FormulaC14H18BrClO2
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC Name3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C2CCCC(Cl)C2)c(OC)c1Br
InChIInChI=1S/C14H18BrClO2/c1-17-12-7-6-11(14(18-2)13(12)15)9-4-3-5-10(16)8-9/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyOQJLVZXQTKEMQO-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorocyclohexyl)-2-methoxybenzene
CID 64516358
1-(3-bromo-2,4-dimethoxyphenyl)-2-chlorocycloheptane
CID 103523791
1-chloro-3-(2-methoxyphenyl)cycloheptane
CID 64507062
2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
CID 103523805
1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 103524175
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809
1-[(5-bromo-2-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64509087
1-[(3-bromo-4-methoxyphenyl)methyl]-3-chlorocycloheptane
CID 64507965
2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
1,3-dibromo-2,4-dimethoxybenzene
CID 11645053
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
1-chloro-2-(3-chlorocyclohexyl)benzene
CID 64513324

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene?
The IUPAC name of 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene (CID 103523936) is 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene?
The canonical SMILES for 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene is COc1ccc(C2CCCC(Cl)C2)c(OC)c1Br.
What is the InChIKey of 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene?
The InChIKey is OQJLVZXQTKEMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClO2/c1-17-12-7-6-11(14(18-2)13(12)15)9-4-3-5-10(16)8-9/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene?
3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene has a molecular weight of 333.65 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chlorocyclohexyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 103523936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).