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

C18H21NO2 — CID 105101130

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
SMILESOC(CCc1ccncc1)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c20-17(4-1-14-7-10-19-11-8-14)5-2-15-3-6-18-16(13-15)9-12-21-18/h3,6-8,10-11,13,17,20H,1-2,4-5,9,12H2
InChIKeyVEEHQOFPZHRNEW-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.94
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol (PubChem CID 105101130) 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-4-ylpentan-3-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
PubChem CID105101130
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
SMILESOC(CCc1ccncc1)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO2/c20-17(4-1-14-7-10-19-11-8-14)5-2-15-3-6-18-16(13-15)9-12-21-18/h3,6-8,10-11,13,17,20H,1-2,4-5,9,12H2
InChIKeyVEEHQOFPZHRNEW-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

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-3-ylpentan-3-ol
CID 105101240
1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 105101170
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
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-5-methylhexan-3-ol
CID 105101212
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 65447392
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
CID 103560129

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol (CID 105101130) is 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol is OC(CCc1ccncc1)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol?
The InChIKey is VEEHQOFPZHRNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17(4-1-14-7-10-19-11-8-14)5-2-15-3-6-18-16(13-15)9-12-21-18/h3,6-8,10-11,13,17,20H,1-2,4-5,9,12H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol?
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-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-4-ylpentan-3-ol is sourced from PubChem (CID 105101130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).