1,3-dichloro-5-(3-methylbutan-2-yl)benzene

C11H14Cl2 — CID 59591228

IUPAC1,3-dichloro-5-(3-methylbutan-2-yl)benzene
SMILESCC(C)C(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2/c1-7(2)8(3)9-4-10(12)6-11(13)5-9/h4-8H,1-3H3
InChIKeyVYHHYKSOQLTTIW-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.75
Rot. Bonds2

About 1,3-dichloro-5-(3-methylbutan-2-yl)benzene

1,3-dichloro-5-(3-methylbutan-2-yl)benzene (PubChem CID 59591228) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1,3-dichloro-5-(3-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(3-methylbutan-2-yl)benzene
PubChem CID59591228
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1,3-dichloro-5-(3-methylbutan-2-yl)benzene
SMILESCC(C)C(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2/c1-7(2)8(3)9-4-10(12)6-11(13)5-9/h4-8H,1-3H3
InChIKeyVYHHYKSOQLTTIW-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dichloro-5-(3-methylbutan-2-yl)benzene 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 1,3-dichloro-5-(3-methylbutan-2-yl)benzene?
The IUPAC name of 1,3-dichloro-5-(3-methylbutan-2-yl)benzene (CID 59591228) is 1,3-dichloro-5-(3-methylbutan-2-yl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(3-methylbutan-2-yl)benzene?
The canonical SMILES for 1,3-dichloro-5-(3-methylbutan-2-yl)benzene is CC(C)C(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(3-methylbutan-2-yl)benzene?
The InChIKey is VYHHYKSOQLTTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-7(2)8(3)9-4-10(12)6-11(13)5-9/h4-8H,1-3H3.
What are the key properties of 1,3-dichloro-5-(3-methylbutan-2-yl)benzene?
1,3-dichloro-5-(3-methylbutan-2-yl)benzene has a molecular weight of 217.14 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(3-methylbutan-2-yl)benzene is sourced from PubChem (CID 59591228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).