1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane

C13H19ClO — CID 177016687

IUPAC1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane
SMILESCC.CCc1ccc(C2(O)CC2)c(Cl)c1
InChIInChI=1S/C11H13ClO.C2H6/c1-2-8-3-4-9(10(12)7-8)11(13)5-6-11;1-2/h3-4,7,13H,2,5-6H2,1H3;1-2H3
InChIKeyOMLJYEKZSZVHHU-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.91
Rot. Bonds2

About 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane

1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane (PubChem CID 177016687) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane.

Molecular Properties

Compound Name1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane
PubChem CID177016687
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane
SMILESCC.CCc1ccc(C2(O)CC2)c(Cl)c1
InChIInChI=1S/C11H13ClO.C2H6/c1-2-8-3-4-9(10(12)7-8)11(13)5-6-11;1-2/h3-4,7,13H,2,5-6H2,1H3;1-2H3
InChIKeyOMLJYEKZSZVHHU-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane 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-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane?
The IUPAC name of 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane (CID 177016687) is 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane.
What is the SMILES notation for 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane?
The canonical SMILES for 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane is CC.CCc1ccc(C2(O)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane?
The InChIKey is OMLJYEKZSZVHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO.C2H6/c1-2-8-3-4-9(10(12)7-8)11(13)5-6-11;1-2/h3-4,7,13H,2,5-6H2,1H3;1-2H3.
What are the key properties of 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane?
1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane has a molecular weight of 226.75 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-ethylphenyl)cyclopropan-1-ol;ethane is sourced from PubChem (CID 177016687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).