1,2-dichloro-4-(2-ethylphenyl)benzene

C14H12Cl2 — CID 67818201

IUPAC1,2-dichloro-4-(2-ethylphenyl)benzene
SMILESCCc1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2/c1-2-10-5-3-4-6-12(10)11-7-8-13(15)14(16)9-11/h3-9H,2H2,1H3
InChIKeyHZFXIZJDTQIJGO-UHFFFAOYSA-N
MW251.16 g/mol
LogP5.22
Rot. Bonds2

About 1,2-dichloro-4-(2-ethylphenyl)benzene

1,2-dichloro-4-(2-ethylphenyl)benzene (PubChem CID 67818201) has the molecular formula C14H12Cl2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 1,2-dichloro-4-(2-ethylphenyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(2-ethylphenyl)benzene
PubChem CID67818201
Molecular FormulaC14H12Cl2
Molecular Weight251.16 g/mol
Exact Mass250.03
IUPAC Name1,2-dichloro-4-(2-ethylphenyl)benzene
SMILESCCc1ccccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2/c1-2-10-5-3-4-6-12(10)11-7-8-13(15)14(16)9-11/h3-9H,2H2,1H3
InChIKeyHZFXIZJDTQIJGO-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.16
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(2-ethylphenyl)benzene?
The IUPAC name of 1,2-dichloro-4-(2-ethylphenyl)benzene (CID 67818201) is 1,2-dichloro-4-(2-ethylphenyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(2-ethylphenyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(2-ethylphenyl)benzene is CCc1ccccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(2-ethylphenyl)benzene?
The InChIKey is HZFXIZJDTQIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2/c1-2-10-5-3-4-6-12(10)11-7-8-13(15)14(16)9-11/h3-9H,2H2,1H3.
What are the key properties of 1,2-dichloro-4-(2-ethylphenyl)benzene?
1,2-dichloro-4-(2-ethylphenyl)benzene has a molecular weight of 251.16 g/mol, XLogP of 5.22, 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-ethylphenyl)benzene is sourced from PubChem (CID 67818201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).