1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene

C14H10Cl4O — CID 55198869

IUPAC1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl4O/c1-19-13-3-2-8(6-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14H,1H3
InChIKeyROUJRHFYBQBIDD-UHFFFAOYSA-N
MW336.05 g/mol
LogP5.98
Rot. Bonds3

About 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene

1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene (PubChem CID 55198869) has the molecular formula C14H10Cl4O and a molecular weight of 336.05 g/mol. Its IUPAC name is 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
PubChem CID55198869
Molecular FormulaC14H10Cl4O
Molecular Weight336.05 g/mol
Exact Mass333.95
IUPAC Name1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C14H10Cl4O/c1-19-13-3-2-8(6-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14H,1H3
InChIKeyROUJRHFYBQBIDD-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

1,3-dibromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 107980802
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
2-chloro-4-[chloro-(4-methylsulfanylphenyl)methyl]-1-methoxybenzene
CID 79217437
2-chloro-4-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-fluorobenzene
CID 82879437
1-[chloro-(3-chloro-4-methoxyphenyl)methyl]-2,3,4-trifluorobenzene
CID 79756898
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
2-chloro-4-[chloro-(4-chloro-2-methylphenyl)methyl]-1-methoxybenzene
CID 114028096
1-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81325192
1,2-dichloro-3-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 63428742
2-bromo-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]furan
CID 61081362
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene (CID 55198869) is 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene is COc1ccc(C(Cl)c2cc(Cl)cc(Cl)c2)cc1Cl.
What is the InChIKey of 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
The InChIKey is ROUJRHFYBQBIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O/c1-19-13-3-2-8(6-12(13)17)14(18)9-4-10(15)7-11(16)5-9/h2-7,14H,1H3.
What are the key properties of 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene?
1,3-dichloro-5-[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 1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 55198869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).