1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol

C17H17NO2 — CID 105129255

IUPAC1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCc1cccc2cc(C(O)CCc3ccncc3)oc12
InChIInChI=1S/C17H17NO2/c1-12-3-2-4-14-11-16(20-17(12)14)15(19)6-5-13-7-9-18-10-8-13/h2-4,7-11,15,19H,5-6H2,1H3
InChIKeyIFRHBQWCHYHBGW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.80
Rot. Bonds4

About 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol

1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol (PubChem CID 105129255) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
PubChem CID105129255
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCc1cccc2cc(C(O)CCc3ccncc3)oc12
InChIInChI=1S/C17H17NO2/c1-12-3-2-4-14-11-16(20-17(12)14)15(19)6-5-13-7-9-18-10-8-13/h2-4,7-11,15,19H,5-6H2,1H3
InChIKeyIFRHBQWCHYHBGW-UHFFFAOYSA-N
XLogP3.80
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185601
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185489
1-(7-methyl-1-benzofuran-2-yl)-4-phenylbutan-1-ol
CID 105129309
1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129170
3-(2,2-difluoroethoxy)-1-(7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 103147842
3-methoxy-3-methyl-1-(7-methyl-1-benzofuran-2-yl)butan-1-ol
CID 103027711
(1S)-1-(7-methyl-1-benzofuran-2-yl)-2-nitroethanol
CID 132500627
1-(7-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726617
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanol
CID 114726335
1-(7-methyl-1-benzofuran-2-yl)-2-phenoxyethanol
CID 114726451
[(7-methyl-1-benzofuran-2-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196376
3,5,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)hexan-1-ol
CID 115836469

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol (CID 105129255) is 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol is Cc1cccc2cc(C(O)CCc3ccncc3)oc12.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
The InChIKey is IFRHBQWCHYHBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-3-2-4-14-11-16(20-17(12)14)15(19)6-5-13-7-9-18-10-8-13/h2-4,7-11,15,19H,5-6H2,1H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 105129255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).