3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol

C16H17NO2 — CID 65446224

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
SMILESOC(CCc1ccc2c(c1)CCO2)c1ccncc1
InChIInChI=1S/C16H17NO2/c18-15(13-5-8-17-9-6-13)3-1-12-2-4-16-14(11-12)7-10-19-16/h2,4-6,8-9,11,15,18H,1,3,7,10H2
InChIKeySHXMHLOSLYINAK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.68
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol

3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol (PubChem CID 65446224) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
PubChem CID65446224
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
SMILESOC(CCc1ccc2c(c1)CCO2)c1ccncc1
InChIInChI=1S/C16H17NO2/c18-15(13-5-8-17-9-6-13)3-1-12-2-4-16-14(11-12)7-10-19-16/h2,4-6,8-9,11,15,18H,1,3,7,10H2
InChIKeySHXMHLOSLYINAK-UHFFFAOYSA-N
XLogP2.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 105101170
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-pyridin-4-ylethanamine
CID 99854678
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445840
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridazin-4-ylpropyl]hydrazine
CID 105310446
1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445130
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
1-(5-chloro-1,3-thiazol-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 107125040

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol (CID 65446224) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol is OC(CCc1ccc2c(c1)CCO2)c1ccncc1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol?
The InChIKey is SHXMHLOSLYINAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15(13-5-8-17-9-6-13)3-1-12-2-4-16-14(11-12)7-10-19-16/h2,4-6,8-9,11,15,18H,1,3,7,10H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 65446224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).