(3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol

C25H23OP — CID 122221437

IUPAC(3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol
SMILESOc1cccc2c1[C@]1(CCC=C1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C25H23OP/c26-22-14-7-9-19-16-18-25(24(19)22)17-8-15-23(25)27(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-15,26H,8,16-18H2/t25-/m1/s1
InChIKeyOSOUGYYSSCGPBK-RUZDIDTESA-N
MW370.43 g/mol
LogP5.39
Rot. Bonds3

About (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol

(3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol (PubChem CID 122221437) has the molecular formula C25H23OP and a molecular weight of 370.43 g/mol. Its IUPAC name is (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol.

Molecular Properties

Compound Name(3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol
PubChem CID122221437
Molecular FormulaC25H23OP
Molecular Weight370.43 g/mol
Exact Mass370.15
IUPAC Name(3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol
SMILESOc1cccc2c1[C@]1(CCC=C1P(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C25H23OP/c26-22-14-7-9-19-16-18-25(24(19)22)17-8-15-23(25)27(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-15,26H,8,16-18H2/t25-/m1/s1
InChIKeyOSOUGYYSSCGPBK-RUZDIDTESA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-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 (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol?
The IUPAC name of (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol (CID 122221437) is (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol.
What is the SMILES notation for (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol?
The canonical SMILES for (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol is Oc1cccc2c1[C@]1(CCC=C1P(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol?
The InChIKey is OSOUGYYSSCGPBK-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23OP/c26-22-14-7-9-19-16-18-25(24(19)22)17-8-15-23(25)27(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-7,9-15,26H,8,16-18H2/t25-/m1/s1.
What are the key properties of (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol?
(3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol has a molecular weight of 370.43 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-diphenylphosphanylspiro[1,2-dihydroindene-3,5'-cyclopentene]-4-ol is sourced from PubChem (CID 122221437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).