[5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol

C28H28O4 — CID 91376688

About [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol

[5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol (PubChem CID 91376688) has the molecular formula C28H28O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol.

Molecular Properties

• Compound Name: [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol
• PubChem CID: 91376688
• Molecular Formula: C28H28O4
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.20
• IUPAC Name: [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol
• SMILES: COc1cccc(-c2ccc3c(c2)CC(Oc2ccc4c(c2)C2(CC4)CC2C(O)O)C3)c1
• InChI: InChI=1S/C28H28O4/c1-31-22-4-2-3-18(12-22)19-5-6-20-13-24(14-21(20)11-19)32-23-8-7-17-9-10-28(25(17)15-23)16-26(28)27(29)30/h2-8,11-12,15,24,26-27,29-30H,9-10,13-14,16H2,1H3
• InChIKey: WYFKZWGMIPHTIB-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 58.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?

The IUPAC name of [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol (CID 91376688) is [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol.

What is the SMILES notation for [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?

The canonical SMILES for [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol is COc1cccc(-c2ccc3c(c2)CC(Oc2ccc4c(c2)C2(CC4)CC2C(O)O)C3)c1.

What is the InChIKey of [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?

The InChIKey is WYFKZWGMIPHTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O4/c1-31-22-4-2-3-18(12-22)19-5-6-20-13-24(14-21(20)11-19)32-23-8-7-17-9-10-28(25(17)15-23)16-26(28)27(29)30/h2-8,11-12,15,24,26-27,29-30H,9-10,13-14,16H2,1H3.

What are the key properties of [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol?

[5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol has a molecular weight of 428.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-2-yl]oxy]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanediol is sourced from PubChem (CID 91376688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).