1-(3,4-dichlorophenyl)propan-1-ol

C9H10Cl2O — CID 19743011

IUPAC1-(3,4-dichlorophenyl)propan-1-ol
SMILESCCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3
InChIKeyPJYGECCAJOYJMK-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.44
Rot. Bonds2

About 1-(3,4-dichlorophenyl)propan-1-ol

1-(3,4-dichlorophenyl)propan-1-ol (PubChem CID 19743011) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)propan-1-ol
PubChem CID19743011
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name1-(3,4-dichlorophenyl)propan-1-ol
SMILESCCC(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3
InChIKeyPJYGECCAJOYJMK-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-dichlorophenyl)propan-1-ol 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-(3,4-dichlorophenyl)propan-1-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)propan-1-ol (CID 19743011) is 1-(3,4-dichlorophenyl)propan-1-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)propan-1-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)propan-1-ol is CCC(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)propan-1-ol?
The InChIKey is PJYGECCAJOYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)propan-1-ol?
1-(3,4-dichlorophenyl)propan-1-ol has a molecular weight of 205.08 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 19743011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).