1,3-dichloro-2-(2,5-dimethylphenyl)benzene

C14H12Cl2 — CID 66641397

IUPAC1,3-dichloro-2-(2,5-dimethylphenyl)benzene
SMILESCc1ccc(C)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2/c1-9-6-7-10(2)11(8-9)14-12(15)4-3-5-13(14)16/h3-8H,1-2H3
InChIKeyVOUZXEGJJHKWFU-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.28
Rot. Bonds1

About 1,3-dichloro-2-(2,5-dimethylphenyl)benzene

1,3-dichloro-2-(2,5-dimethylphenyl)benzene (PubChem CID 66641397) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1,3-dichloro-2-(2,5-dimethylphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(2,5-dimethylphenyl)benzene
PubChem CID66641397
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1,3-dichloro-2-(2,5-dimethylphenyl)benzene
SMILESCc1ccc(C)c(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C14H12Cl2/c1-9-6-7-10(2)11(8-9)14-12(15)4-3-5-13(14)16/h3-8H,1-2H3
InChIKeyVOUZXEGJJHKWFU-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(2,5-dimethylphenyl)benzene?
The IUPAC name of 1,3-dichloro-2-(2,5-dimethylphenyl)benzene (CID 66641397) is 1,3-dichloro-2-(2,5-dimethylphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(2,5-dimethylphenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(2,5-dimethylphenyl)benzene is Cc1ccc(C)c(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1,3-dichloro-2-(2,5-dimethylphenyl)benzene?
The InChIKey is VOUZXEGJJHKWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-9-6-7-10(2)11(8-9)14-12(15)4-3-5-13(14)16/h3-8H,1-2H3.
What are the key properties of 1,3-dichloro-2-(2,5-dimethylphenyl)benzene?
1,3-dichloro-2-(2,5-dimethylphenyl)benzene has a molecular weight of 251.16 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(2,5-dimethylphenyl)benzene is sourced from PubChem (CID 66641397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).