2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid

C11H11FO3 — CID 169453752

IUPAC2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(C=CCO)ccc1F
InChIInChI=1S/C11H11FO3/c12-10-4-3-8(2-1-5-13)6-9(10)7-11(14)15/h1-4,6,13H,5,7H2,(H,14,15)
InChIKeyAJCAZEZRJGEYRS-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.46
Rot. Bonds4

About 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid

2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid (PubChem CID 169453752) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid
PubChem CID169453752
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(C=CCO)ccc1F
InChIInChI=1S/C11H11FO3/c12-10-4-3-8(2-1-5-13)6-9(10)7-11(14)15/h1-4,6,13H,5,7H2,(H,14,15)
InChIKeyAJCAZEZRJGEYRS-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-5-(4-hydroxybut-1-enyl)phenyl]acetic acid
CID 170477059
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
CID 169464007
2-[2-fluoro-5-[(E)-pent-1-enyl]phenyl]acetic acid
CID 78325099
2-[5-(4-amino-4-oxobut-1-enyl)-2-fluorophenyl]acetic acid
CID 170798417
S-[4-[4-fluoro-3-(hydroxymethyl)phenyl]but-3-enyl] ethanethioate
CID 170479991
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
2-[2-fluoro-5-[4-(phenylmethoxycarbonylamino)but-1-enyl]phenyl]acetic acid
CID 170494554
2-[4-(4-acetylsulfanylbut-1-enyl)-2-fluorophenyl]acetic acid
CID 170480631
[5-(4-bromobut-1-enyl)-2-fluorophenyl]methanol
CID 170497332
5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
CID 171372503
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484034
3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
CID 79334205

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid (CID 169453752) is 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid is O=C(O)Cc1cc(C=CCO)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid?
The InChIKey is AJCAZEZRJGEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-10-4-3-8(2-1-5-13)6-9(10)7-11(14)15/h1-4,6,13H,5,7H2,(H,14,15).
What are the key properties of 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid?
2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid has a molecular weight of 210.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(3-hydroxyprop-1-enyl)phenyl]acetic acid is sourced from PubChem (CID 169453752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).