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

C14H11Cl3O — CID 63434290

IUPAC2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H11Cl3O/c1-18-11-6-7-12(13(16)8-11)14(17)9-2-4-10(15)5-3-9/h2-8,14H,1H3
InChIKeySLMGQSKSFYGARZ-UHFFFAOYSA-N
MW301.60 g/mol
LogP5.33
Rot. Bonds3

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

2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene (PubChem CID 63434290) has the molecular formula C14H11Cl3O and a molecular weight of 301.60 g/mol. Its IUPAC name is 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
PubChem CID63434290
Molecular FormulaC14H11Cl3O
Molecular Weight301.60 g/mol
Exact Mass299.99
IUPAC Name2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H11Cl3O/c1-18-11-6-7-12(13(16)8-11)14(17)9-2-4-10(15)5-3-9/h2-8,14H,1H3
InChIKeySLMGQSKSFYGARZ-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.60
LogP ≤ 55.33
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-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
CID 63434674
1-[(4-tert-butylphenyl)-chloromethyl]-2-chloro-4-methoxybenzene
CID 63434462
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63429186
5-[chloro-(2-chloro-4-methoxyphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63743696
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443486
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene?
The IUPAC name of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene (CID 63434290) is 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene is COc1ccc(C(Cl)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene?
The InChIKey is SLMGQSKSFYGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O/c1-18-11-6-7-12(13(16)8-11)14(17)9-2-4-10(15)5-3-9/h2-8,14H,1H3.
What are the key properties of 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene?
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene has a molecular weight of 301.60 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 63434290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).