3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol

C15H14FNO2 — CID 43114165

IUPAC3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc(NC2COc3cc(O)ccc32)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-9-2-5-13(12(16)6-9)17-14-8-19-15-7-10(18)3-4-11(14)15/h2-7,14,17-18H,8H2,1H3
InChIKeyYOUMVHBCGIBFIH-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.39
Rot. Bonds2

About 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol

3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (PubChem CID 43114165) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
PubChem CID43114165
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol
SMILESCc1ccc(NC2COc3cc(O)ccc32)c(F)c1
InChIInChI=1S/C15H14FNO2/c1-9-2-5-13(12(16)6-9)17-14-8-19-15-7-10(18)3-4-11(14)15/h2-7,14,17-18H,8H2,1H3
InChIKeyYOUMVHBCGIBFIH-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The IUPAC name of 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol (CID 43114165) is 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol.
What is the SMILES notation for 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The canonical SMILES for 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is Cc1ccc(NC2COc3cc(O)ccc32)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
The InChIKey is YOUMVHBCGIBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-9-2-5-13(12(16)6-9)17-14-8-19-15-7-10(18)3-4-11(14)15/h2-7,14,17-18H,8H2,1H3.
What are the key properties of 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol?
3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol has a molecular weight of 259.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylanilino)-2,3-dihydro-1-benzofuran-6-ol is sourced from PubChem (CID 43114165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).