4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid

C15H11FO3 — CID 114746359

IUPAC4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cccc3c2OCC3)cc1F
InChIInChI=1S/C15H11FO3/c16-13-8-10(4-5-12(13)15(17)18)11-3-1-2-9-6-7-19-14(9)11/h1-5,8H,6-7H2,(H,17,18)
InChIKeyOWJMSYCJTBXTKE-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.13
Rot. Bonds2

About 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid

4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid (PubChem CID 114746359) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
PubChem CID114746359
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2cccc3c2OCC3)cc1F
InChIInChI=1S/C15H11FO3/c16-13-8-10(4-5-12(13)15(17)18)11-3-1-2-9-6-7-19-14(9)11/h1-5,8H,6-7H2,(H,17,18)
InChIKeyOWJMSYCJTBXTKE-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorophenyl]methyl]ethanamine
CID 114746535
4-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 53225927
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
4-(3,4-dihydro-2H-chromen-8-yl)-2-fluoroaniline
CID 114746433
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
7-(4-methylphenyl)-2,3-dihydro-1-benzofuran
CID 23543625
2-(3,4-dihydro-2H-chromen-8-yl)-5-methylbenzoic acid
CID 114746380
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
4-(5-cyano-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxybenzoic acid
CID 126667478

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid (CID 114746359) is 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid is O=C(O)c1ccc(-c2cccc3c2OCC3)cc1F.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid?
The InChIKey is OWJMSYCJTBXTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c16-13-8-10(4-5-12(13)15(17)18)11-3-1-2-9-6-7-19-14(9)11/h1-5,8H,6-7H2,(H,17,18).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid?
4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid has a molecular weight of 258.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-7-yl)-2-fluorobenzoic acid is sourced from PubChem (CID 114746359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).