1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene

C14H10Cl4 — CID 14252307

IUPAC1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene
SMILESCc1cc(Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl4/c1-8-4-10(7-13(17)14(8)18)5-9-2-3-11(15)12(16)6-9/h2-4,6-7H,5H2,1H3
InChIKeyWUDJNMAWLVGLJS-UHFFFAOYSA-N
MW320.05 g/mol
LogP6.20
Rot. Bonds2

About 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene

1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene (PubChem CID 14252307) has the molecular formula C14H10Cl4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene
PubChem CID14252307
Molecular FormulaC14H10Cl4
Molecular Weight320.05 g/mol
Exact Mass317.95
IUPAC Name1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene
SMILESCc1cc(Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl4/c1-8-4-10(7-13(17)14(8)18)5-9-2-3-11(15)12(16)6-9/h2-4,6-7H,5H2,1H3
InChIKeyWUDJNMAWLVGLJS-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.05
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415497
5-[(3,4-dichlorophenyl)methyl]-4-methyl-3H-1,3-thiazole-2-thione
CID 2535200
1-chloro-4-(chloromethyl)-2-methylbenzene
CID 524342
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
1-chloro-4-(fluoromethyl)-2-methylbenzene
CID 67488160
2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62190533
7-chloro-3-[(3,4-dichlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65425914
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-ethylpyrimidine
CID 63611985
6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 67332285
5-[(3,4-dichlorophenyl)methyl]-3-methyl-1H-pyridazin-6-one
CID 53417676

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene?
The IUPAC name of 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene (CID 14252307) is 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene.
What is the SMILES notation for 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene?
The canonical SMILES for 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene is Cc1cc(Cc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene?
The InChIKey is WUDJNMAWLVGLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4/c1-8-4-10(7-13(17)14(8)18)5-9-2-3-11(15)12(16)6-9/h2-4,6-7H,5H2,1H3.
What are the key properties of 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene?
1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene has a molecular weight of 320.05 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-5-[(3,4-dichlorophenyl)methyl]-3-methylbenzene is sourced from PubChem (CID 14252307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).