1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene

C16H16Cl2 — CID 137427176

IUPAC1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene
SMILESCCc1ccc(-c2cc(Cl)c(CC)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2/c1-3-11-5-7-12(8-6-11)13-9-15(17)14(4-2)16(18)10-13/h5-10H,3-4H2,1-2H3
InChIKeyIMNXSVJBPMDQKK-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.79
Rot. Bonds3

About 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene

1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene (PubChem CID 137427176) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene
PubChem CID137427176
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene
SMILESCCc1ccc(-c2cc(Cl)c(CC)c(Cl)c2)cc1
InChIInChI=1S/C16H16Cl2/c1-3-11-5-7-12(8-6-11)13-9-15(17)14(4-2)16(18)10-13/h5-10H,3-4H2,1-2H3
InChIKeyIMNXSVJBPMDQKK-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.79
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-ethyl-5-(4-ethylphenyl)benzene?
The IUPAC name of 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene (CID 137427176) is 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene is CCc1ccc(-c2cc(Cl)c(CC)c(Cl)c2)cc1.
What is the InChIKey of 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene?
The InChIKey is IMNXSVJBPMDQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-3-11-5-7-12(8-6-11)13-9-15(17)14(4-2)16(18)10-13/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene?
1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene has a molecular weight of 279.21 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene is sourced from PubChem (CID 137427176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).