2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid

C17H11FO5S — CID 118222105

IUPAC2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(=O)c2ccco2)sc1-c1ccc(F)cc1O
InChIInChI=1S/C17H11FO5S/c18-10-3-4-11(12(19)8-10)17-9(7-15(20)21)6-14(24-17)16(22)13-2-1-5-23-13/h1-6,8,19H,7H2,(H,20,21)
InChIKeyBXPSSNHCYNWKBW-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid

2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid (PubChem CID 118222105) has the molecular formula C17H11FO5S and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid
PubChem CID118222105
Molecular FormulaC17H11FO5S
Molecular Weight346.34 g/mol
Exact Mass346.03
IUPAC Name2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid
SMILESO=C(O)Cc1cc(C(=O)c2ccco2)sc1-c1ccc(F)cc1O
InChIInChI=1S/C17H11FO5S/c18-10-3-4-11(12(19)8-10)17-9(7-15(20)21)6-14(24-17)16(22)13-2-1-5-23-13/h1-6,8,19H,7H2,(H,20,21)
InChIKeyBXPSSNHCYNWKBW-UHFFFAOYSA-N
XLogP3.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid (CID 118222105) is 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid is O=C(O)Cc1cc(C(=O)c2ccco2)sc1-c1ccc(F)cc1O.
What is the InChIKey of 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid?
The InChIKey is BXPSSNHCYNWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO5S/c18-10-3-4-11(12(19)8-10)17-9(7-15(20)21)6-14(24-17)16(22)13-2-1-5-23-13/h1-6,8,19H,7H2,(H,20,21).
What are the key properties of 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid?
2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid has a molecular weight of 346.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-2-hydroxyphenyl)-5-(furan-2-carbonyl)thiophen-3-yl]acetic acid is sourced from PubChem (CID 118222105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).