4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

C14H12F2O2 — CID 115467073

IUPAC4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(c2cccc(F)c2F)CCCc2occc21
InChIInChI=1S/C14H12F2O2/c15-11-4-1-3-10(13(11)16)14(17)7-2-5-12-9(14)6-8-18-12/h1,3-4,6,8,17H,2,5,7H2
InChIKeyMLAWSFMRIODHOD-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.13
Rot. Bonds1

About 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol

4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 115467073) has the molecular formula C14H12F2O2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID115467073
Molecular FormulaC14H12F2O2
Molecular Weight250.24 g/mol
Exact Mass250.08
IUPAC Name4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESOC1(c2cccc(F)c2F)CCCc2occc21
InChIInChI=1S/C14H12F2O2/c15-11-4-1-3-10(13(11)16)14(17)7-2-5-12-9(14)6-8-18-12/h1,3-4,6,8,17H,2,5,7H2
InChIKeyMLAWSFMRIODHOD-UHFFFAOYSA-N
XLogP3.13
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol (CID 115467073) is 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is OC1(c2cccc(F)c2F)CCCc2occc21.
What is the InChIKey of 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is MLAWSFMRIODHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2/c15-11-4-1-3-10(13(11)16)14(17)7-2-5-12-9(14)6-8-18-12/h1,3-4,6,8,17H,2,5,7H2.
What are the key properties of 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol?
4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 250.24 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 115467073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).