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

C14H10Cl4 — CID 14252297

IUPAC1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)cc1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl4/c1-8-4-13(17)14(18)7-9(8)5-10-6-11(15)2-3-12(10)16/h2-4,6-7H,5H2,1H3
InChIKeyOTQWVUWERXEAIF-UHFFFAOYSA-N
MW320.05 g/mol
LogP6.20
Rot. Bonds2

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

1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene (PubChem CID 14252297) has the molecular formula C14H10Cl4 and a molecular weight of 320.05 g/mol. Its IUPAC name is 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene.

Molecular Properties

Compound Name1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene
PubChem CID14252297
Molecular FormulaC14H10Cl4
Molecular Weight320.05 g/mol
Exact Mass317.95
IUPAC Name1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene
SMILESCc1cc(Cl)c(Cl)cc1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl4/c1-8-4-13(17)14(18)7-9(8)5-10-6-11(15)2-3-12(10)16/h2-4,6-7H,5H2,1H3
InChIKeyOTQWVUWERXEAIF-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

4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
2,4-dichloro-1-[(2,4-dimethylphenyl)methyl]benzene
CID 57116365
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
3-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-2-amine
CID 65318608
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
(2,5-dichlorophenyl)methanethiol
CID 21489083
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
1-[(2,5-dichlorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 171613045
4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene?
The IUPAC name of 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene (CID 14252297) is 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene.
What is the SMILES notation for 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene?
The canonical SMILES for 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene is Cc1cc(Cl)c(Cl)cc1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene?
The InChIKey is OTQWVUWERXEAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4/c1-8-4-13(17)14(18)7-9(8)5-10-6-11(15)2-3-12(10)16/h2-4,6-7H,5H2,1H3.
What are the key properties of 1,2-dichloro-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene?
1,2-dichloro-4-[(2,5-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-4-[(2,5-dichlorophenyl)methyl]-5-methylbenzene is sourced from PubChem (CID 14252297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).