1,2-dichloro-3-(propan-2-yloxymethyl)benzene

C10H12Cl2O — CID 91723379

IUPAC1,2-dichloro-3-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-7(2)13-6-8-4-3-5-9(11)10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyNZZMINPVJOMGSN-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.92
Rot. Bonds3

About 1,2-dichloro-3-(propan-2-yloxymethyl)benzene

1,2-dichloro-3-(propan-2-yloxymethyl)benzene (PubChem CID 91723379) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 1,2-dichloro-3-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(propan-2-yloxymethyl)benzene
PubChem CID91723379
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name1,2-dichloro-3-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1cccc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-7(2)13-6-8-4-3-5-9(11)10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyNZZMINPVJOMGSN-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dichloro-3-(propan-2-yloxymethyl)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 1,2-dichloro-3-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1,2-dichloro-3-(propan-2-yloxymethyl)benzene (CID 91723379) is 1,2-dichloro-3-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(propan-2-yloxymethyl)benzene is CC(C)OCc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(propan-2-yloxymethyl)benzene?
The InChIKey is NZZMINPVJOMGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-7(2)13-6-8-4-3-5-9(11)10(8)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1,2-dichloro-3-(propan-2-yloxymethyl)benzene?
1,2-dichloro-3-(propan-2-yloxymethyl)benzene has a molecular weight of 219.11 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 91723379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).