6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde

C35H39FO3 — CID 143977393

About 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde

6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde (PubChem CID 143977393) has the molecular formula C35H39FO3 and a molecular weight of 526.69 g/mol. Its IUPAC name is 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde.

Molecular Properties

• Compound Name: 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde
• PubChem CID: 143977393
• Molecular Formula: C35H39FO3
• Molecular Weight: 526.69 g/mol
• Exact Mass: 526.29
• IUPAC Name: 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde
• SMILES: COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)C3(CCC4)C(C)C3C=O)cc2C2CCCC2(C)C)c1
• InChI: InChI=1S/C35H39FO3/c1-22-32(20-37)35(22)16-5-7-24-10-11-26(19-31(24)35)39-21-23-9-13-27(29-18-25(38-4)12-14-33(29)36)28(17-23)30-8-6-15-34(30,2)3/h9-14,17-20,22,30,32H,5-8,15-16,21H2,1-4H3
• InChIKey: ZFWWAGYXRCRAKM-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.69
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

The IUPAC name of 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde (CID 143977393) is 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde.

What is the SMILES notation for 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

The canonical SMILES for 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde is COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)C3(CCC4)C(C)C3C=O)cc2C2CCCC2(C)C)c1.

What is the InChIKey of 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

The InChIKey is ZFWWAGYXRCRAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39FO3/c1-22-32(20-37)35(22)16-5-7-24-10-11-26(19-31(24)35)39-21-23-9-13-27(29-18-25(38-4)12-14-33(29)36)28(17-23)30-8-6-15-34(30,2)3/h9-14,17-20,22,30,32H,5-8,15-16,21H2,1-4H3.

What are the key properties of 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde?

6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde has a molecular weight of 526.69 g/mol, XLogP of 8.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]-3'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbaldehyde is sourced from PubChem (CID 143977393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).