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

C14H11Cl3 — CID 63436326

IUPAC1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
SMILESCc1cccc(C(Cl)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl3/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h2-8,14H,1H3
InChIKeyIYEGXJLFRYHRMR-UHFFFAOYSA-N
MW285.60 g/mol
LogP5.63
Rot. Bonds2

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

1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene (PubChem CID 63436326) has the molecular formula C14H11Cl3 and a molecular weight of 285.60 g/mol. Its IUPAC name is 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
PubChem CID63436326
Molecular FormulaC14H11Cl3
Molecular Weight285.60 g/mol
Exact Mass283.99
IUPAC Name1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
SMILESCc1cccc(C(Cl)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl3/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h2-8,14H,1H3
InChIKeyIYEGXJLFRYHRMR-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.60
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorophenyl)ethanamine;1-(3-methylphenyl)ethanamine
CID 70213286
1-chloro-4-[chloro-(3-methylphenyl)methyl]naphthalene
CID 79596980
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
CID 81111875
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586
1-butyl-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63431815
1-chloro-2-[chloro-(3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432995
1-[chloro-(3-methylphenyl)methyl]-2,4-di(propan-2-yl)benzene
CID 63431573
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-(3,4-dichlorophenoxy)-1-(3-methylphenyl)butan-2-amine
CID 63460308

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene (CID 63436326) is 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene is Cc1cccc(C(Cl)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene?
The InChIKey is IYEGXJLFRYHRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3/c1-9-3-2-4-10(7-9)14(17)11-5-6-12(15)13(16)8-11/h2-8,14H,1H3.
What are the key properties of 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene?
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene has a molecular weight of 285.60 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene is sourced from PubChem (CID 63436326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).