(1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

C30H38O4 — CID 58379994

About (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid

(1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 58379994) has the molecular formula C30H38O4 and a molecular weight of 462.63 g/mol. Its IUPAC name is (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

• Compound Name: (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
• PubChem CID: 58379994
• Molecular Formula: C30H38O4
• Molecular Weight: 462.63 g/mol
• Exact Mass: 462.28
• IUPAC Name: (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
• SMILES: CCCOc1ccc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)cc1[C@@H]1CCCC1(C)C
• InChI: InChI=1S/C30H38O4/c1-4-15-33-27-12-9-20(16-23(27)24-8-6-13-29(24,2)3)19-34-22-11-10-21-7-5-14-30(25(21)17-22)18-26(30)28(31)32/h9-12,16-17,24,26H,4-8,13-15,18-19H2,1-3H3,(H,31,32)/t24-,26-,30-/m0/s1
• InChIKey: VBEYJAXENTWJIV-QECWJDIYSA-N
• XLogP: 7.03
• TPSA: 55.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.63
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?

The IUPAC name of (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid (CID 58379994) is (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid.

What is the SMILES notation for (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?

The canonical SMILES for (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is CCCOc1ccc(COc2ccc3c(c2)[C@]2(CCC3)C[C@H]2C(=O)O)cc1[C@@H]1CCCC1(C)C.

What is the InChIKey of (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?

The InChIKey is VBEYJAXENTWJIV-QECWJDIYSA-N. The full InChI is InChI=1S/C30H38O4/c1-4-15-33-27-12-9-20(16-23(27)24-8-6-13-29(24,2)3)19-34-22-11-10-21-7-5-14-30(25(21)17-22)18-26(30)28(31)32/h9-12,16-17,24,26H,4-8,13-15,18-19H2,1-3H3,(H,31,32)/t24-,26-,30-/m0/s1.

What are the key properties of (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid?

(1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 462.63 g/mol, XLogP of 7.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1'R,4R)-6-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-propoxyphenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 58379994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).