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

C15H13Cl3O — CID 114028096

IUPAC2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C15H13Cl3O/c1-9-7-11(16)4-5-12(9)15(18)10-3-6-14(19-2)13(17)8-10/h3-8,15H,1-2H3
InChIKeyMORPYLMQVHYSTD-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.64
Rot. Bonds3

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

2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene (PubChem CID 114028096) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
PubChem CID114028096
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(Cl)cc2C)cc1Cl
InChIInChI=1S/C15H13Cl3O/c1-9-7-11(16)4-5-12(9)15(18)10-3-6-14(19-2)13(17)8-10/h3-8,15H,1-2H3
InChIKeyMORPYLMQVHYSTD-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

2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
1-[chloro-(3-chloro-4-methoxyphenyl)methyl]-2,3,4-trifluorobenzene
CID 79756898
4-chloro-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427370
4-chloro-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434447
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
1-[chloro-(3,4-dimethoxyphenyl)methyl]-2,4-dimethylbenzene
CID 61081551
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 63428742
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
1-[chloro-(3-chloro-4-iodophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 103210753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene?
The IUPAC name of 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene (CID 114028096) is 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene is COc1ccc(C(Cl)c2ccc(Cl)cc2C)cc1Cl.
What is the InChIKey of 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene?
The InChIKey is MORPYLMQVHYSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-7-11(16)4-5-12(9)15(18)10-3-6-14(19-2)13(17)8-10/h3-8,15H,1-2H3.
What are the key properties of 2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene?
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene 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-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 114028096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).