2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid

C16H11FO4 — CID 14303494

IUPAC2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C(=O)Oc2ccc(F)cc21
InChIInChI=1S/C16H11FO4/c17-11-6-7-13-12(8-11)16(9-14(18)19,15(20)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyTZARIQMIXCSZFN-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.51
Rot. Bonds3

About 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid

2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid (PubChem CID 14303494) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid
PubChem CID14303494
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid
SMILESO=C(O)CC1(c2ccccc2)C(=O)Oc2ccc(F)cc21
InChIInChI=1S/C16H11FO4/c17-11-6-7-13-12(8-11)16(9-14(18)19,15(20)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKeyTZARIQMIXCSZFN-UHFFFAOYSA-N
XLogP2.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-(2-methoxycarbonylprop-2-enyl)-2,6-dioxo-3,5-diphenylfuro[3,2-f][1]benzofuran-5-yl]methyl]prop-2-enoate
CID 59137765
5-chloro-3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-phenyl-1-benzofuran-2-one
CID 14303511
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
6-fluoro-4-methyl-4-phenyl-1,3-benzodioxine-2-carboxylic acid
CID 12812430
5-chloro-3-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-3-phenyl-1-benzofuran-2-one
CID 14303499
2-[4-(aminomethyl)-6-fluoro-2,3-dihydrochromen-4-yl]acetic acid
CID 83912453
3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882
(3S)-3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
CID 66584151
(3S)-3-[(2-methylphenyl)methyl]-3-phenyl-1-benzofuran-2-one
CID 162398251
3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one;hydrochloride
CID 70683055
(3R)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]-3-phenyl-1-benzofuran-2-one
CID 101368746
2-(5-fluoro-1-methyl-3-oxo-2H-inden-1-yl)acetic acid
CID 10822899

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid (CID 14303494) is 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid is O=C(O)CC1(c2ccccc2)C(=O)Oc2ccc(F)cc21.
What is the InChIKey of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
The InChIKey is TZARIQMIXCSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c17-11-6-7-13-12(8-11)16(9-14(18)19,15(20)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid?
2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid has a molecular weight of 286.26 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-3-phenyl-1-benzofuran-3-yl)acetic acid is sourced from PubChem (CID 14303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).