1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene

C14H10Cl4O — CID 63428742

IUPAC1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O/c1-19-12-6-5-8(7-11(12)16)13(17)9-3-2-4-10(15)14(9)18/h2-7,13H,1H3
InChIKeyVBKNRQJAOPFRLX-UHFFFAOYSA-N
MW336.05 g/mol
LogP5.98
Rot. Bonds3

About 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene

1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene (PubChem CID 63428742) has the molecular formula C14H10Cl4O and a molecular weight of 336.05 g/mol. Its IUPAC name is 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
PubChem CID63428742
Molecular FormulaC14H10Cl4O
Molecular Weight336.05 g/mol
Exact Mass333.95
IUPAC Name1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cccc(Cl)c2Cl)cc1Cl
InChIInChI=1S/C14H10Cl4O/c1-19-12-6-5-8(7-11(12)16)13(17)9-3-2-4-10(15)14(9)18/h2-7,13H,1H3
InChIKeyVBKNRQJAOPFRLX-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.05
LogP ≤ 55.98
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

1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
CID 63439370
1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55199111
1-[chloro-(3-chloro-4-methoxyphenyl)methyl]-2,3,4-trifluorobenzene
CID 79756898
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
1,3-dibromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 107980802
2-chloro-4-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1-methylbenzene
CID 113425550
2-chloro-4-[chloro-(4-methylsulfanylphenyl)methyl]-1-methoxybenzene
CID 79217437
2-chloro-4-[chloro-(3-propoxyphenyl)methyl]-1-methoxybenzene
CID 63428664
4-[chloro-(2-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434748
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477672

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene (CID 63428742) is 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene is COc1ccc(C(Cl)c2cccc(Cl)c2Cl)cc1Cl.
What is the InChIKey of 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
The InChIKey is VBKNRQJAOPFRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O/c1-19-12-6-5-8(7-11(12)16)13(17)9-3-2-4-10(15)14(9)18/h2-7,13H,1H3.
What are the key properties of 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene has a molecular weight of 336.05 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 63428742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).