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

C17H17NO2 — CID 105129170

IUPAC1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCc1ccc2oc(C(O)CCc3ccncc3)cc2c1
InChIInChI=1S/C17H17NO2/c1-12-2-5-16-14(10-12)11-17(20-16)15(19)4-3-13-6-8-18-9-7-13/h2,5-11,15,19H,3-4H2,1H3
InChIKeyLUEWOZNCHCOBPO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.80
Rot. Bonds4

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

1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol (PubChem CID 105129170) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
PubChem CID105129170
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
SMILESCc1ccc2oc(C(O)CCc3ccncc3)cc2c1
InChIInChI=1S/C17H17NO2/c1-12-2-5-16-14(10-12)11-17(20-16)15(19)4-3-13-6-8-18-9-7-13/h2,5-11,15,19H,3-4H2,1H3
InChIKeyLUEWOZNCHCOBPO-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

Analyze 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129184
1-(5-chloro-1-benzofuran-2-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129392
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129255
3-(furan-2-yl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 105129193
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
3-ethylsulfanyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114724900
3-(diethylamino)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726904
2-(3,4-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63017844
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylamino)ethanol
CID 114735119
1-(5-methyl-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanol
CID 114726614
2-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 63016416

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol (CID 105129170) is 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol is Cc1ccc2oc(C(O)CCc3ccncc3)cc2c1.
What is the InChIKey of 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
The InChIKey is LUEWOZNCHCOBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-2-5-16-14(10-12)11-17(20-16)15(19)4-3-13-6-8-18-9-7-13/h2,5-11,15,19H,3-4H2,1H3.
What are the key properties of 1-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol?
1-(5-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-(5-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 105129170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).