1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene

C16H15Cl3O2 — CID 63432776

IUPAC1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H15Cl3O2/c1-20-15-8-12(14(19)9-16(15)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyQPTIHPQVYMIVLB-UHFFFAOYSA-N
MW345.65 g/mol
LogP5.53
Rot. Bonds5

About 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene

1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene (PubChem CID 63432776) has the molecular formula C16H15Cl3O2 and a molecular weight of 345.65 g/mol. Its IUPAC name is 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
PubChem CID63432776
Molecular FormulaC16H15Cl3O2
Molecular Weight345.65 g/mol
Exact Mass344.01
IUPAC Name1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C16H15Cl3O2/c1-20-15-8-12(14(19)9-16(15)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyQPTIHPQVYMIVLB-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.65
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene 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-[1-chloro-2-(3-chlorophenyl)ethyl]-4,5-dimethoxybenzene
CID 63432908
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethylbenzene
CID 113319615
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
4-bromo-2-[1-chloro-2-(4-chlorophenyl)ethyl]-1-methoxybenzene
CID 63427444
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250
1-[1-chloro-2-(4-methylphenyl)ethyl]-4,5-dimethoxy-2-methylbenzene
CID 63435129
1-[2-(4-bromophenyl)-1-chloroethyl]-4-chloro-2-methoxybenzene
CID 63520054
2-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1,4-difluorobenzene
CID 61084129
2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan
CID 106689725
1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63433124
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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene (CID 63432776) is 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene is COc1cc(Cl)c(C(Cl)Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
The InChIKey is QPTIHPQVYMIVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3O2/c1-20-15-8-12(14(19)9-16(15)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene?
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene has a molecular weight of 345.65 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 63432776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).