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

C16H17NO2 — CID 105125169

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
SMILESOC(CCc1ccncc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO2/c18-15(3-1-12-5-8-17-9-6-12)13-2-4-16-14(11-13)7-10-19-16/h2,4-6,8-9,11,15,18H,1,3,7,10H2
InChIKeyATOYKMIKFWRIPP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.68
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol (PubChem CID 105125169) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
PubChem CID105125169
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
SMILESOC(CCc1ccncc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H17NO2/c18-15(3-1-12-5-8-17-9-6-12)13-2-4-16-14(11-13)7-10-19-16/h2,4-6,8-9,11,15,18H,1,3,7,10H2
InChIKeyATOYKMIKFWRIPP-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

3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
3-phenyl-1-[4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol
CID 126464804
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
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)hexan-1-ol
CID 61099251
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
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)but-3-en-1-ol
CID 79734096
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyridin-4-ylpropanamide
CID 91760338

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol (CID 105125169) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol is OC(CCc1ccncc1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol?
The InChIKey is ATOYKMIKFWRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c18-15(3-1-12-5-8-17-9-6-12)13-2-4-16-14(11-13)7-10-19-16/h2,4-6,8-9,11,15,18H,1,3,7,10H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-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 1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 105125169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).