1-(2-tert-butylphenyl)-2,3-dichlorobenzene

C16H16Cl2 — CID 67807125

IUPAC1-(2-tert-butylphenyl)-2,3-dichlorobenzene
SMILESCC(C)(C)c1ccccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2/c1-16(2,3)13-9-5-4-7-11(13)12-8-6-10-14(17)15(12)18/h4-10H,1-3H3
InChIKeyVEWISMYCVCPKQY-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.96
Rot. Bonds1

About 1-(2-tert-butylphenyl)-2,3-dichlorobenzene

1-(2-tert-butylphenyl)-2,3-dichlorobenzene (PubChem CID 67807125) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2,3-dichlorobenzene
PubChem CID67807125
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name1-(2-tert-butylphenyl)-2,3-dichlorobenzene
SMILESCC(C)(C)c1ccccc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2/c1-16(2,3)13-9-5-4-7-11(13)12-8-6-10-14(17)15(12)18/h4-10H,1-3H3
InChIKeyVEWISMYCVCPKQY-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-tert-butylphenyl)-2,3-dichlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2,3-dichlorobenzene?
The IUPAC name of 1-(2-tert-butylphenyl)-2,3-dichlorobenzene (CID 67807125) is 1-(2-tert-butylphenyl)-2,3-dichlorobenzene.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2,3-dichlorobenzene?
The canonical SMILES for 1-(2-tert-butylphenyl)-2,3-dichlorobenzene is CC(C)(C)c1ccccc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2-tert-butylphenyl)-2,3-dichlorobenzene?
The InChIKey is VEWISMYCVCPKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-16(2,3)13-9-5-4-7-11(13)12-8-6-10-14(17)15(12)18/h4-10H,1-3H3.
What are the key properties of 1-(2-tert-butylphenyl)-2,3-dichlorobenzene?
1-(2-tert-butylphenyl)-2,3-dichlorobenzene has a molecular weight of 279.21 g/mol, XLogP of 5.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2,3-dichlorobenzene is sourced from PubChem (CID 67807125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).