2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid

C14H11FO3 — CID 176548301

IUPAC2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(O)c2)ccc1F
InChIInChI=1S/C14H11FO3/c15-13-5-4-10(6-11(13)8-14(17)18)9-2-1-3-12(16)7-9/h1-7,16H,8H2,(H,17,18)
InChIKeyXJTYLIYJOFCXLQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.83
Rot. Bonds3

About 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid

2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid (PubChem CID 176548301) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid
PubChem CID176548301
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(-c2cccc(O)c2)ccc1F
InChIInChI=1S/C14H11FO3/c15-13-5-4-10(6-11(13)8-14(17)18)9-2-1-3-12(16)7-9/h1-7,16H,8H2,(H,17,18)
InChIKeyXJTYLIYJOFCXLQ-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-phenylphenyl)acetic acid
CID 46314800
2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
2-[5-(2,5-difluorophenyl)-2-fluorophenyl]acetic acid
CID 176548294
2-ethyl-4-(3-hydroxyphenyl)phenol
CID 101302560
benzene-1,3-diol;2-[2-(carboxymethyl)phenyl]acetic acid
CID 21468463
3-(4-chlorophenyl)phenol
CID 3015395
3-(4-hydroxyphenyl)phenol;hydrobromide
CID 153382873
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
2-[2-fluoro-5-[3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]phenyl]acetic acid
CID 69496132
3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
2-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]acetic acid
CID 166638943
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid (CID 176548301) is 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid is O=C(O)Cc1cc(-c2cccc(O)c2)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid?
The InChIKey is XJTYLIYJOFCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-13-5-4-10(6-11(13)8-14(17)18)9-2-1-3-12(16)7-9/h1-7,16H,8H2,(H,17,18).
What are the key properties of 2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid?
2-[2-fluoro-5-(3-hydroxyphenyl)phenyl]acetic acid has a molecular weight of 246.24 g/mol, XLogP of 2.83, 3 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-hydroxyphenyl)phenyl]acetic acid is sourced from PubChem (CID 176548301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).