4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene

C16H16Cl2O — CID 63542851

IUPAC4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)Cc1ccccc1C
InChIInChI=1S/C16H16Cl2O/c1-11-5-3-4-6-12(11)9-15(18)14-10-13(17)7-8-16(14)19-2/h3-8,10,15H,9H2,1-2H3
InChIKeyCAWHLLRNMHVDDU-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.18
Rot. Bonds4

About 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene

4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene (PubChem CID 63542851) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
PubChem CID63542851
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)Cc1ccccc1C
InChIInChI=1S/C16H16Cl2O/c1-11-5-3-4-6-12(11)9-15(18)14-10-13(17)7-8-16(14)19-2/h3-8,10,15H,9H2,1-2H3
InChIKeyCAWHLLRNMHVDDU-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.18
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-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
1-[1-chloro-2-(2-methylphenyl)ethyl]-2,3-dimethoxybenzene
CID 63016287
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
4-chloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]-1-methoxybenzene
CID 63542483
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63542139
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 63449510
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene
CID 104546377
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-4-chloro-2-methylbenzene
CID 114028164

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene (CID 63542851) is 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene is COc1ccc(Cl)cc1C(Cl)Cc1ccccc1C.
What is the InChIKey of 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene?
The InChIKey is CAWHLLRNMHVDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-11-5-3-4-6-12(11)9-15(18)14-10-13(17)7-8-16(14)19-2/h3-8,10,15H,9H2,1-2H3.
What are the key properties of 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene?
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene has a molecular weight of 295.21 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene is sourced from PubChem (CID 63542851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).