4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene

C16H16Cl2O2 — CID 63428713

IUPAC4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Cl)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H16Cl2O2/c1-19-15-7-6-12(10-16(15)20-2)14(18)9-11-4-3-5-13(17)8-11/h3-8,10,14H,9H2,1-2H3
InChIKeyWHYZCKNRVWGWSB-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.88
Rot. Bonds5

About 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene

4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene (PubChem CID 63428713) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
PubChem CID63428713
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(C(Cl)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H16Cl2O2/c1-19-15-7-6-12(10-16(15)20-2)14(18)9-11-4-3-5-13(17)8-11/h3-8,10,14H,9H2,1-2H3
InChIKeyWHYZCKNRVWGWSB-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.88
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

2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 60819659
1-chloro-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432908
1-bromo-2-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432399
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
4-[2-chloro-2-(3-methylphenyl)ethyl]-1,2-dimethoxybenzene
CID 63016812
4-[1-chloro-2-(3-methylphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284301
1-butan-2-yl-4-[1-chloro-2-(3-chlorophenyl)ethyl]benzene
CID 63429914
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
2-bromo-4-[1-chloro-2-(3-methylphenyl)ethyl]-1-methoxybenzene
CID 55200198
2-(3-chlorophenyl)ethyl-[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]azanium
CID 7446050

Frequently Asked Questions

What is the IUPAC name of 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene (CID 63428713) is 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene is COc1ccc(C(Cl)Cc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene?
The InChIKey is WHYZCKNRVWGWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-19-15-7-6-12(10-16(15)20-2)14(18)9-11-4-3-5-13(17)8-11/h3-8,10,14H,9H2,1-2H3.
What are the key properties of 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene?
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene has a molecular weight of 311.21 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 63428713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).