2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol

C14H12FNO2 — CID 104738109

IUPAC2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccncc1F)C1Cc2ccccc2O1
InChIInChI=1S/C14H12FNO2/c15-11-8-16-6-5-10(11)14(17)13-7-9-3-1-2-4-12(9)18-13/h1-6,8,13-14,17H,7H2
InChIKeyZULJREUNMFAJMV-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.26
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol

2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol (PubChem CID 104738109) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol
PubChem CID104738109
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccncc1F)C1Cc2ccccc2O1
InChIInChI=1S/C14H12FNO2/c15-11-8-16-6-5-10(11)14(17)13-7-9-3-1-2-4-12(9)18-13/h1-6,8,13-14,17H,7H2
InChIKeyZULJREUNMFAJMV-UHFFFAOYSA-N
XLogP2.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61100439
(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methanol
CID 116517288
(2,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 61081025
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol
CID 115833981
[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105230225
6-bicyclo[3.1.0]hexanyl-(3-fluoro-4-pyridinyl)methanol
CID 115833955
2,3-dihydro-1-benzofuran-2-yl-(2-propoxyphenyl)methanol
CID 104659715
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
2-(3,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 82920238
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707826
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645296

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol (CID 104738109) is 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol is OC(c1ccncc1F)C1Cc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is ZULJREUNMFAJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-11-8-16-6-5-10(11)14(17)13-7-9-3-1-2-4-12(9)18-13/h1-6,8,13-14,17H,7H2.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol?
2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 245.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 104738109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).