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

C18H21NO2 — CID 105101240

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
SMILESOC(CCc1cccnc1)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c20-17(7-4-15-2-1-10-19-13-15)6-3-14-5-8-18-16(12-14)9-11-21-18/h1-2,5,8,10,12-13,17,20H,3-4,6-7,9,11H2
InChIKeyUMVBRWUFHWLUBT-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.94
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol (PubChem CID 105101240) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
PubChem CID105101240
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
SMILESOC(CCc1cccnc1)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c20-17(7-4-15-2-1-10-19-13-15)6-3-14-5-8-18-16(12-14)9-11-21-18/h1-2,5,8,10,12-13,17,20H,3-4,6-7,9,11H2
InChIKeyUMVBRWUFHWLUBT-UHFFFAOYSA-N
XLogP2.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
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)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 65447392
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
CID 102927687
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446272
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-5-methylhexan-3-ol
CID 105101212
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol (CID 105101240) is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol is OC(CCc1cccnc1)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol?
The InChIKey is UMVBRWUFHWLUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17(7-4-15-2-1-10-19-13-15)6-3-14-5-8-18-16(12-14)9-11-21-18/h1-2,5,8,10,12-13,17,20H,3-4,6-7,9,11H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol has a molecular weight of 283.37 g/mol, XLogP of 2.94, 6 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)-5-pyridin-3-ylpentan-3-ol is sourced from PubChem (CID 105101240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).