2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol

C16H15FO3 — CID 114744709

IUPAC2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc3c2OCC3)c(F)c1
InChIInChI=1S/C16H15FO3/c1-19-11-5-6-12(14(17)9-11)15(18)13-4-2-3-10-7-8-20-16(10)13/h2-6,9,15,18H,7-8H2,1H3
InChIKeyFXSVTAKSBNVTHX-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.85
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol

2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 114744709) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID114744709
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cccc3c2OCC3)c(F)c1
InChIInChI=1S/C16H15FO3/c1-19-11-5-6-12(14(17)9-11)15(18)13-4-2-3-10-7-8-20-16(10)13/h2-6,9,15,18H,7-8H2,1H3
InChIKeyFXSVTAKSBNVTHX-UHFFFAOYSA-N
XLogP2.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 107538425
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(4-ethoxy-2-fluorophenyl)methanol
CID 141414346
2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
CID 114743236
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
2,3-dihydro-1-benzofuran-7-yl-(2-iodophenyl)methanol
CID 115838946
(2-cyclopropylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395056
[2-(difluoromethoxy)phenyl]-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743255
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
(2-chlorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 114743289
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol (CID 114744709) is 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cccc3c2OCC3)c(F)c1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is FXSVTAKSBNVTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-11-5-6-12(14(17)9-11)15(18)13-4-2-3-10-7-8-20-16(10)13/h2-6,9,15,18H,7-8H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol?
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 274.29 g/mol, XLogP of 2.85, 3 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-7-yl-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 114744709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).