6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol

C31H36FNO4 — CID 143977368

About 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol

6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol (PubChem CID 143977368) has the molecular formula C31H36FNO4 and a molecular weight of 505.63 g/mol. Its IUPAC name is 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol.

Molecular Properties

• Compound Name: 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol
• PubChem CID: 143977368
• Molecular Formula: C31H36FNO4
• Molecular Weight: 505.63 g/mol
• Exact Mass: 505.26
• IUPAC Name: 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol
• SMILES: CC(C)(C)Cc1cc(COc2ccc3c(c2)C2(CCC3)CC2C(=O)O)ccc1-c1cncc(F)c1.CO
• InChI: InChI=1S/C30H32FNO3.CH4O/c1-29(2,3)14-21-11-19(6-9-25(21)22-12-23(31)17-32-16-22)18-35-24-8-7-20-5-4-10-30(26(20)13-24)15-27(30)28(33)34;1-2/h6-9,11-13,16-17,27H,4-5,10,14-15,18H2,1-3H3,(H,33,34);2H,1H3
• InChIKey: FYNXXECCQCXCMF-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 79.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.63
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol?

The IUPAC name of 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol (CID 143977368) is 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol.

What is the SMILES notation for 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol?

The canonical SMILES for 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol is CC(C)(C)Cc1cc(COc2ccc3c(c2)C2(CCC3)CC2C(=O)O)ccc1-c1cncc(F)c1.CO.

What is the InChIKey of 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol?

The InChIKey is FYNXXECCQCXCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FNO3.CH4O/c1-29(2,3)14-21-11-19(6-9-25(21)22-12-23(31)17-32-16-22)18-35-24-8-7-20-5-4-10-30(26(20)13-24)15-27(30)28(33)34;1-2/h6-9,11-13,16-17,27H,4-5,10,14-15,18H2,1-3H3,(H,33,34);2H,1H3.

What are the key properties of 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol?

6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol has a molecular weight of 505.63 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(2,2-dimethylpropyl)-4-(5-fluoro-3-pyridinyl)phenyl]methoxy]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid;methanol is sourced from PubChem (CID 143977368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).