2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid

C15H13FO4 — CID 107675226

IUPAC2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(O)c2ccccc2)cc1F
InChIInChI=1S/C15H13FO4/c16-13-8-11(6-7-12(13)15(18)19)20-9-14(17)10-4-2-1-3-5-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyFYUFLSOMRVWMSQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.64
Rot. Bonds5

About 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid

2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid (PubChem CID 107675226) has the molecular formula C15H13FO4 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
PubChem CID107675226
Molecular FormulaC15H13FO4
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(O)c2ccccc2)cc1F
InChIInChI=1S/C15H13FO4/c16-13-8-11(6-7-12(13)15(18)19)20-9-14(17)10-4-2-1-3-5-10/h1-8,14,17H,9H2,(H,18,19)
InChIKeyFYUFLSOMRVWMSQ-UHFFFAOYSA-N
XLogP2.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(3-hydroxy-2-methylpropoxy)benzoic acid
CID 107675405
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 115298042
1-[4-(3-bromo-2-phenylpropoxy)-2-fluorophenyl]ethanone
CID 107715571
3-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 107689805
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
(1S)-2-[3-(2-aminoethoxy)phenoxy]-1-phenylethanol
CID 130373001
2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-1-phenylethanol
CID 79887645
2-fluoro-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 69019004
2-fluoro-4-[(2S)-2-hydroxy-3-(tetrazol-2-yl)propoxy]benzoic acid
CID 139348321

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid?
The IUPAC name of 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid (CID 107675226) is 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid?
The canonical SMILES for 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid is O=C(O)c1ccc(OCC(O)c2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid?
The InChIKey is FYUFLSOMRVWMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO4/c16-13-8-11(6-7-12(13)15(18)19)20-9-14(17)10-4-2-1-3-5-10/h1-8,14,17H,9H2,(H,18,19).
What are the key properties of 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid?
2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid has a molecular weight of 276.26 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-hydroxy-2-phenylethoxy)benzoic acid is sourced from PubChem (CID 107675226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).