7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene

C33H35FO2 — CID 58379840

About 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene

7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene (PubChem CID 58379840) has the molecular formula C33H35FO2 and a molecular weight of 482.64 g/mol. Its IUPAC name is 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene.

Molecular Properties

• Compound Name: 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene
• PubChem CID: 58379840
• Molecular Formula: C33H35FO2
• Molecular Weight: 482.64 g/mol
• Exact Mass: 482.26
• IUPAC Name: 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene
• SMILES: C=CC(C)(C)C1c2cc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3CC)ccc2-c2c(F)ccc(OC)c21
• InChI: InChI=1S/C33H35FO2/c1-6-22-18-33(22)15-14-21-9-10-23(17-26(21)33)36-19-20-8-11-24-25(16-20)31(32(3,4)7-2)30-28(35-5)13-12-27(34)29(24)30/h7-13,16-17,22,31H,2,6,14-15,18-19H2,1,3-5H3/t22-,31?,33-/m1/s1
• InChIKey: YCWWJZQMHZUHBC-MGJBILMXSA-N
• XLogP: 8.35
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.64
LogP ≤ 5	8.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene?

The IUPAC name of 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene (CID 58379840) is 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene.

What is the SMILES notation for 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene?

The canonical SMILES for 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene is C=CC(C)(C)C1c2cc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3CC)ccc2-c2c(F)ccc(OC)c21.

What is the InChIKey of 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene?

The InChIKey is YCWWJZQMHZUHBC-MGJBILMXSA-N. The full InChI is InChI=1S/C33H35FO2/c1-6-22-18-33(22)15-14-21-9-10-23(17-26(21)33)36-19-20-8-11-24-25(16-20)31(32(3,4)7-2)30-28(35-5)13-12-27(34)29(24)30/h7-13,16-17,22,31H,2,6,14-15,18-19H2,1,3-5H3/t22-,31?,33-/m1/s1.

What are the key properties of 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene?

7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene has a molecular weight of 482.64 g/mol, XLogP of 8.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[(2'R,3R)-2'-ethylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-yl]oxymethyl]-4-fluoro-1-methoxy-9-(2-methylbut-3-en-2-yl)-9H-fluorene is sourced from PubChem (CID 58379840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).