2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol

C21H25NO3 — CID 22734335

IUPAC2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2ccncc2)c2c1OC1(CCCC1)C2
InChIInChI=1S/C21H25NO3/c1-20(23,13-15-7-11-22-12-8-15)17-5-6-18(24-2)19-16(17)14-21(25-19)9-3-4-10-21/h5-8,11-12,23H,3-4,9-10,13-14H2,1-2H3
InChIKeyAJWWRGCWVJJVHE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.79
Rot. Bonds4

About 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol

2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol (PubChem CID 22734335) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol.

Molecular Properties

Compound Name2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol
PubChem CID22734335
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol
SMILESCOc1ccc(C(C)(O)Cc2ccncc2)c2c1OC1(CCCC1)C2
InChIInChI=1S/C21H25NO3/c1-20(23,13-15-7-11-22-12-8-15)17-5-6-18(24-2)19-16(17)14-21(25-19)9-3-4-10-21/h5-8,11-12,23H,3-4,9-10,13-14H2,1-2H3
InChIKeyAJWWRGCWVJJVHE-UHFFFAOYSA-N
XLogP3.79
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol with MolForge

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Related Compounds

2-(2-hydroxyoxaborolan-4-yl)-6-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)pyridine
CID 174152744
2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclohexane]-4-yl)-4-pyridin-3-yl-1,3-thiazole
CID 142801474
4-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 11110952
3-(2-hydroxyoxaborolan-4-yl)-5-(8-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-5-yl)pyridine
CID 174152763
4-[2-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)ethyl]pyridine;hydrochloride
CID 22733988
3-[(4R)-2-hydroxyoxaborolan-4-yl]-5-(7-methoxyspiro[3H-1-benzofuran-2,4'-thiane]-4-yl)pyridine
CID 174152806
2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163
4-(2,2-dimethylpropyl)pyridine
CID 22960904
1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
2-methyl-1-pyridin-4-ylpropan-2-amine;hydrochloride
CID 141017506
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 106650901
2-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-ol
CID 84685964

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol?
The IUPAC name of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol (CID 22734335) is 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol.
What is the SMILES notation for 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol?
The canonical SMILES for 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol is COc1ccc(C(C)(O)Cc2ccncc2)c2c1OC1(CCCC1)C2.
What is the InChIKey of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol?
The InChIKey is AJWWRGCWVJJVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-20(23,13-15-7-11-22-12-8-15)17-5-6-18(24-2)19-16(17)14-21(25-19)9-3-4-10-21/h5-8,11-12,23H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol?
2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol has a molecular weight of 339.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 22734335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).