4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene

C16H16Cl2O — CID 63427370

IUPAC4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc(C)c(C)c1
InChIInChI=1S/C16H16Cl2O/c1-10-4-5-12(8-11(10)2)16(18)14-9-13(17)6-7-15(14)19-3/h4-9,16H,1-3H3
InChIKeyBKGIOUSXIXOXCS-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.29
Rot. Bonds3

About 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene

4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene (PubChem CID 63427370) has the molecular formula C16H16Cl2O and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
PubChem CID63427370
Molecular FormulaC16H16Cl2O
Molecular Weight295.21 g/mol
Exact Mass294.06
IUPAC Name4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc(C)c(C)c1
InChIInChI=1S/C16H16Cl2O/c1-10-4-5-12(8-11(10)2)16(18)14-9-13(17)6-7-15(14)19-3/h4-9,16H,1-3H3
InChIKeyBKGIOUSXIXOXCS-UHFFFAOYSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.29
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-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
CID 113425541
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020619
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
2-[bromo-(3,4-dimethoxyphenyl)methyl]-4-chloro-1-methylbenzene
CID 82890864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene (CID 63427370) is 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene is COc1ccc(Cl)cc1C(Cl)c1ccc(C)c(C)c1.
What is the InChIKey of 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
The InChIKey is BKGIOUSXIXOXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O/c1-10-4-5-12(8-11(10)2)16(18)14-9-13(17)6-7-15(14)19-3/h4-9,16H,1-3H3.
What are the key properties of 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene?
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene has a molecular weight of 295.21 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 63427370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).