2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene

C15H13Cl3O — CID 113425550

IUPAC2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-3-4-10(7-13(9)17)15(18)12-8-11(16)5-6-14(12)19-2/h3-8,15H,1-2H3
InChIKeyZPELPIRNHCQHKW-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.64
Rot. Bonds3

About 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene

2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene (PubChem CID 113425550) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
PubChem CID113425550
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
SMILESCOc1ccc(Cl)cc1C(Cl)c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-3-4-10(7-13(9)17)15(18)12-8-11(16)5-6-14(12)19-2/h3-8,15H,1-2H3
InChIKeyZPELPIRNHCQHKW-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.64
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

4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296595
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethylbenzene
CID 113425541
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
2-chloro-4-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 63429095
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
5-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63020619
1-[chloro-(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-4-methylbenzene
CID 104546404

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene?
The IUPAC name of 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene (CID 113425550) is 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene?
The canonical SMILES for 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene is COc1ccc(Cl)cc1C(Cl)c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene?
The InChIKey is ZPELPIRNHCQHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-3-4-10(7-13(9)17)15(18)12-8-11(16)5-6-14(12)19-2/h3-8,15H,1-2H3.
What are the key properties of 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene?
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene has a molecular weight of 315.63 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene is sourced from PubChem (CID 113425550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).