[3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol

C21H24O3 — CID 90839426

IUPAC[3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol
SMILESCC1C(C(O)O)C12CCc1ccc(OCCc3ccccc3)cc12
InChIInChI=1S/C21H24O3/c1-14-19(20(22)23)21(14)11-9-16-7-8-17(13-18(16)21)24-12-10-15-5-3-2-4-6-15/h2-8,13-14,19-20,22-23H,9-12H2,1H3
InChIKeyUFQIAEPMFMKOIW-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.07
Rot. Bonds5

About [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol

[3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol (PubChem CID 90839426) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol.

Molecular Properties

Compound Name[3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol
PubChem CID90839426
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name[3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol
SMILESCC1C(C(O)O)C12CCc1ccc(OCCc3ccccc3)cc12
InChIInChI=1S/C21H24O3/c1-14-19(20(22)23)21(14)11-9-16-7-8-17(13-18(16)21)24-12-10-15-5-3-2-4-6-15/h2-8,13-14,19-20,22-23H,9-12H2,1H3
InChIKeyUFQIAEPMFMKOIW-UHFFFAOYSA-N
XLogP3.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol 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'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?
The IUPAC name of [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol (CID 90839426) is [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol.
What is the SMILES notation for [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?
The canonical SMILES for [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol is CC1C(C(O)O)C12CCc1ccc(OCCc3ccccc3)cc12.
What is the InChIKey of [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?
The InChIKey is UFQIAEPMFMKOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-14-19(20(22)23)21(14)11-9-16-7-8-17(13-18(16)21)24-12-10-15-5-3-2-4-6-15/h2-8,13-14,19-20,22-23H,9-12H2,1H3.
What are the key properties of [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?
[3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol has a molecular weight of 324.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3'-methyl-5-(2-phenylethoxy)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol is sourced from PubChem (CID 90839426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).