3-(3-chlorophenyl)phenol;ethane

C14H15ClO — CID 142088616

IUPAC3-(3-chlorophenyl)phenol;ethane
SMILESCC.Oc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H9ClO.C2H6/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-2/h1-8,14H;1-2H3
InChIKeyKCFUVKZCMGGQLN-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.74
Rot. Bonds1

About 3-(3-chlorophenyl)phenol;ethane

3-(3-chlorophenyl)phenol;ethane (PubChem CID 142088616) has the molecular formula C14H15ClO and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)phenol;ethane.

Molecular Properties

Compound Name3-(3-chlorophenyl)phenol;ethane
PubChem CID142088616
Molecular FormulaC14H15ClO
Molecular Weight234.73 g/mol
Exact Mass234.08
IUPAC Name3-(3-chlorophenyl)phenol;ethane
SMILESCC.Oc1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C12H9ClO.C2H6/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-2/h1-8,14H;1-2H3
InChIKeyKCFUVKZCMGGQLN-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-chlorophenyl)phenol;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 3-(3-chlorophenyl)phenol;ethane?
The IUPAC name of 3-(3-chlorophenyl)phenol;ethane (CID 142088616) is 3-(3-chlorophenyl)phenol;ethane.
What is the SMILES notation for 3-(3-chlorophenyl)phenol;ethane?
The canonical SMILES for 3-(3-chlorophenyl)phenol;ethane is CC.Oc1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenyl)phenol;ethane?
The InChIKey is KCFUVKZCMGGQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO.C2H6/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;1-2/h1-8,14H;1-2H3.
What are the key properties of 3-(3-chlorophenyl)phenol;ethane?
3-(3-chlorophenyl)phenol;ethane has a molecular weight of 234.73 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)phenol;ethane is sourced from PubChem (CID 142088616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).