2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid

C11H11FO3 — CID 170476801

IUPAC2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
SMILESO=C(O)c1c(F)cccc1C=CCCO
InChIInChI=1S/C11H11FO3/c12-9-6-3-5-8(4-1-2-7-13)10(9)11(14)15/h1,3-6,13H,2,7H2,(H,14,15)
InChIKeyIYPCGTTXYRIWFM-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.92
Rot. Bonds4

About 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid

2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid (PubChem CID 170476801) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
PubChem CID170476801
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
SMILESO=C(O)c1c(F)cccc1C=CCCO
InChIInChI=1S/C11H11FO3/c12-9-6-3-5-8(4-1-2-7-13)10(9)11(14)15/h1,3-6,13H,2,7H2,(H,14,15)
InChIKeyIYPCGTTXYRIWFM-UHFFFAOYSA-N
XLogP1.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobut-1-enyl)-6-fluorobenzoic acid
CID 170487172
2-(3-carboxyprop-1-enyl)-6-fluorobenzoic acid
CID 170483799
2-(4-hydroxybut-1-enyl)-6-methoxybenzoic acid
CID 170477137
2-fluoro-6-(4-hydroxybut-1-enyl)phenol
CID 170476150
4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol
CID 170476426
2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile
CID 170476567
2-fluoro-6-methanehydrazonoylbenzoic acid
CID 168531555
2-chloro-6-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478572
2-fluoro-6-(hydroxymethyl)benzoic acid
CID 46831349
2-(3-hydroxyprop-1-enyl)-6-methoxybenzoic acid
CID 169453821
2-chloro-3-(4-hydroxybut-1-enyl)phenol
CID 170476157
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid?
The IUPAC name of 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid (CID 170476801) is 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid?
The canonical SMILES for 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid is O=C(O)c1c(F)cccc1C=CCCO.
What is the InChIKey of 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid?
The InChIKey is IYPCGTTXYRIWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9-6-3-5-8(4-1-2-7-13)10(9)11(14)15/h1,3-6,13H,2,7H2,(H,14,15).
What are the key properties of 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid?
2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid has a molecular weight of 210.20 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid is sourced from PubChem (CID 170476801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).