1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol

C16H15NO2 — CID 66458862

IUPAC1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)c1cc2ccccc2o1
InChIInChI=1S/C16H15NO2/c1-11(12-6-8-17-9-7-12)16(18)15-10-13-4-2-3-5-14(13)19-15/h2-11,16,18H,1H3
InChIKeySFQLMGPBMNGPCR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.66
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol

1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 66458862) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol
PubChem CID66458862
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol
SMILESCC(c1ccncc1)C(O)c1cc2ccccc2o1
InChIInChI=1S/C16H15NO2/c1-11(12-6-8-17-9-7-12)16(18)15-10-13-4-2-3-5-14(13)19-15/h2-11,16,18H,1H3
InChIKeySFQLMGPBMNGPCR-UHFFFAOYSA-N
XLogP3.66
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
CID 114726943
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
1-(1-benzofuran-2-yl)-3-chloropropane-1,2-diol
CID 171863453
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
1-benzofuran-2-yl-(1-methylpyrazol-4-yl)methanol
CID 63090768
1-(1-benzofuran-2-yl)-3-phenylbutan-1-ol
CID 114723712
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
N-[1-benzofuran-2-yl(phenyl)methyl]pyridine-4-carboxamide
CID 42925184
N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide
CID 57302607
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)but-2-en-1-ol
CID 150085441
1-(1-benzofuran-2-yl)ethanesulfonic acid
CID 87653215

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol (CID 66458862) is 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol is CC(c1ccncc1)C(O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is SFQLMGPBMNGPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11(12-6-8-17-9-7-12)16(18)15-10-13-4-2-3-5-14(13)19-15/h2-11,16,18H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol?
1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 253.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 66458862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).