(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol

C21H17ClO2 — CID 1472162

IUPAC(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1C[C@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21
InChIInChI=1S/C21H17ClO2/c22-15-9-11-16(12-10-15)24-20-8-4-7-17-18(13-19(23)21(17)20)14-5-2-1-3-6-14/h1-12,18-19,23H,13H2/t18-,19+/m1/s1
InChIKeyPAQCIBLMLRKGNI-MOPGFXCFSA-N
MW336.82 g/mol
LogP5.70
Rot. Bonds3

About (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol

(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 1472162) has the molecular formula C21H17ClO2 and a molecular weight of 336.82 g/mol. Its IUPAC name is (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol
PubChem CID1472162
Molecular FormulaC21H17ClO2
Molecular Weight336.82 g/mol
Exact Mass336.09
IUPAC Name(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1C[C@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21
InChIInChI=1S/C21H17ClO2/c22-15-9-11-16(12-10-15)24-20-8-4-7-17-18(13-19(23)21(17)20)14-5-2-1-3-6-14/h1-12,18-19,23H,13H2/t18-,19+/m1/s1
InChIKeyPAQCIBLMLRKGNI-MOPGFXCFSA-N
XLogP5.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.82
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-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 (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol (CID 1472162) is (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol is O[C@H]1C[C@H](c2ccccc2)c2cccc(Oc3ccc(Cl)cc3)c21.
What is the InChIKey of (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is PAQCIBLMLRKGNI-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H17ClO2/c22-15-9-11-16(12-10-15)24-20-8-4-7-17-18(13-19(23)21(17)20)14-5-2-1-3-6-14/h1-12,18-19,23H,13H2/t18-,19+/m1/s1.
What are the key properties of (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol?
(1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 336.82 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-7-(4-chlorophenoxy)-3-phenyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 1472162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).