1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol

C16H13FO3 — CID 82805523

IUPAC1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc3ccccc3o2)c1F
InChIInChI=1S/C16H13FO3/c1-19-13-8-4-6-11(15(13)17)16(18)14-9-10-5-2-3-7-12(10)20-14/h2-9,16,18H,1H3
InChIKeyBTQZSAXYFHLNMI-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.66
Rot. Bonds3

About 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol

1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82805523) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82805523
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2cc3ccccc3o2)c1F
InChIInChI=1S/C16H13FO3/c1-19-13-8-4-6-11(15(13)17)16(18)14-9-10-5-2-3-7-12(10)20-14/h2-9,16,18H,1H3
InChIKeyBTQZSAXYFHLNMI-UHFFFAOYSA-N
XLogP3.66
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-benzofuran-2-yl)-(2-methoxyphenyl)methanol
CID 114723264
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
1-benzofuran-2-yl-(3-chloro-2-methylphenyl)methanol
CID 107103499
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723648
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
CID 114282584
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
(2-fluoro-3-methoxyphenyl)-isoquinolin-1-ylmethanol
CID 82792775
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol (CID 82805523) is 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2cc3ccccc3o2)c1F.
What is the InChIKey of 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is BTQZSAXYFHLNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-13-8-4-6-11(15(13)17)16(18)14-9-10-5-2-3-7-12(10)20-14/h2-9,16,18H,1H3.
What are the key properties of 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol?
1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 272.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82805523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).