1,2-dichloro-3-ethoxybenzene

C8H8Cl2O — CID 10420061

IUPAC1,2-dichloro-3-ethoxybenzene
SMILESCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2O/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKeyAZEDTVCUFIKLGR-UHFFFAOYSA-N
MW191.06 g/mol
LogP3.39
Rot. Bonds2

About 1,2-dichloro-3-ethoxybenzene

1,2-dichloro-3-ethoxybenzene (PubChem CID 10420061) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 1,2-dichloro-3-ethoxybenzene.

Molecular Properties

Compound Name1,2-dichloro-3-ethoxybenzene
PubChem CID10420061
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name1,2-dichloro-3-ethoxybenzene
SMILESCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2O/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3
InChIKeyAZEDTVCUFIKLGR-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dichloro-3-ethoxybenzene 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-ethoxybenzene?
The IUPAC name of 1,2-dichloro-3-ethoxybenzene (CID 10420061) is 1,2-dichloro-3-ethoxybenzene.
What is the SMILES notation for 1,2-dichloro-3-ethoxybenzene?
The canonical SMILES for 1,2-dichloro-3-ethoxybenzene is CCOc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-ethoxybenzene?
The InChIKey is AZEDTVCUFIKLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2H2,1H3.
What are the key properties of 1,2-dichloro-3-ethoxybenzene?
1,2-dichloro-3-ethoxybenzene has a molecular weight of 191.06 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-ethoxybenzene is sourced from PubChem (CID 10420061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).