1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol

C21H15ClO2 — CID 11674420

IUPAC1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C21H15ClO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12H2
InChIKeyKYKWZUMHVAPNQH-UHFFFAOYSA-N
MW334.80 g/mol
LogP5.27
Rot. Bonds2

About 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol

1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol (PubChem CID 11674420) has the molecular formula C21H15ClO2 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol
PubChem CID11674420
Molecular FormulaC21H15ClO2
Molecular Weight334.80 g/mol
Exact Mass334.08
IUPAC Name1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C21H15ClO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12H2
InChIKeyKYKWZUMHVAPNQH-UHFFFAOYSA-N
XLogP5.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.80
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-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-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol (CID 11674420) is 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol is Oc1ccc(C2=C(c3ccc(Cl)cc3)c3ccc(O)cc3C2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
The InChIKey is KYKWZUMHVAPNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO2/c22-16-5-1-14(2-6-16)21-19-10-9-18(24)11-15(19)12-20(21)13-3-7-17(23)8-4-13/h1-11,23-24H,12H2.
What are the key properties of 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol?
1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol has a molecular weight of 334.80 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-hydroxyphenyl)-3H-inden-5-ol is sourced from PubChem (CID 11674420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).