1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene

C15H12Cl4O — CID 63431003

IUPAC1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(C(Cl)Cc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl4O/c1-20-15-5-3-10(8-14(15)19)12(17)6-9-2-4-11(16)13(18)7-9/h2-5,7-8,12H,6H2,1H3
InChIKeySJEYKEFVZYSLMS-UHFFFAOYSA-N
MW350.07 g/mol
LogP6.18
Rot. Bonds4

About 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene

1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene (PubChem CID 63431003) has the molecular formula C15H12Cl4O and a molecular weight of 350.07 g/mol. Its IUPAC name is 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
PubChem CID63431003
Molecular FormulaC15H12Cl4O
Molecular Weight350.07 g/mol
Exact Mass347.96
IUPAC Name1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(C(Cl)Cc2ccc(Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C15H12Cl4O/c1-20-15-5-3-10(8-14(15)19)12(17)6-9-2-4-11(16)13(18)7-9/h2-5,7-8,12H,6H2,1H3
InChIKeySJEYKEFVZYSLMS-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.07
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
2-chloro-4-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]-1-fluorobenzene
CID 82876049
1,2-dichloro-4-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]benzene
CID 63429579
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
2-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-1-methoxybenzene
CID 63435247
2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene
CID 61080616
4-[1-chloro-2-(3-chlorophenyl)ethyl]-1,2-dimethoxybenzene
CID 63428713
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
3-(3,4-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 83955360
2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
CID 63431280
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene (CID 63431003) is 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene is COc1ccc(C(Cl)Cc2ccc(Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene?
The InChIKey is SJEYKEFVZYSLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O/c1-20-15-5-3-10(8-14(15)19)12(17)6-9-2-4-11(16)13(18)7-9/h2-5,7-8,12H,6H2,1H3.
What are the key properties of 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene?
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene has a molecular weight of 350.07 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 63431003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).