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

C14H10Cl4 — CID 14252257

IUPAC1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl4/c1-8-4-10(14(18)13(17)5-8)6-9-2-3-11(15)7-12(9)16/h2-5,7H,6H2,1H3
InChIKeyTXEOVVJIUHGBIN-UHFFFAOYSA-N
MW320.05 g/mol
LogP6.20
Rot. Bonds2

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

1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene (PubChem CID 14252257) has the molecular formula C14H10Cl4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene
PubChem CID14252257
Molecular FormulaC14H10Cl4
Molecular Weight320.05 g/mol
Exact Mass317.95
IUPAC Name1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)c(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H10Cl4/c1-8-4-10(14(18)13(17)5-8)6-9-2-3-11(15)7-12(9)16/h2-5,7H,6H2,1H3
InChIKeyTXEOVVJIUHGBIN-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

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Related Compounds

2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
1-(bromomethyl)-2,3-dichloro-5-methylbenzene
CID 130982496
5-[(2,4-dichlorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 3779331
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
(2,4-dichlorophenyl)methylphosphane
CID 134447961
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
1-[2-[(2,4-dichlorophenyl)methoxy]-5-methylphenyl]-N-methylmethanamine
CID 63486921
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
1-[2-[(2,4-dichlorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62744094
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene?
The IUPAC name of 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene (CID 14252257) is 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene.
What is the SMILES notation for 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene?
The canonical SMILES for 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene is Cc1cc(Cl)c(Cl)c(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene?
The InChIKey is TXEOVVJIUHGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4/c1-8-4-10(14(18)13(17)5-8)6-9-2-3-11(15)7-12(9)16/h2-5,7H,6H2,1H3.
What are the key properties of 1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene?
1,2-dichloro-3-[(2,4-dichlorophenyl)methyl]-5-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-3-[(2,4-dichlorophenyl)methyl]-5-methylbenzene is sourced from PubChem (CID 14252257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).