4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid

C16H15FO4 — CID 107719952

IUPAC4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
SMILESC[C@@H](O)c1ccc(OCc2ccc(C(=O)O)cc2)cc1F
InChIInChI=1S/C16H15FO4/c1-10(18)14-7-6-13(8-15(14)17)21-9-11-2-4-12(5-3-11)16(19)20/h2-8,10,18H,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyKSTTZZDELYATOV-SNVBAGLBSA-N
MW290.29 g/mol
LogP3.16
Rot. Bonds5

About 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid

4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid (PubChem CID 107719952) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
PubChem CID107719952
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid
SMILESC[C@@H](O)c1ccc(OCc2ccc(C(=O)O)cc2)cc1F
InChIInChI=1S/C16H15FO4/c1-10(18)14-7-6-13(8-15(14)17)21-9-11-2-4-12(5-3-11)16(19)20/h2-8,10,18H,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyKSTTZZDELYATOV-SNVBAGLBSA-N
XLogP3.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
(1S)-1-[2-fluoro-4-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 107720343
(1R)-1-[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719922
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
(1R)-1-[2-fluoro-4-(phenylmethoxymethoxy)phenyl]ethanol
CID 107720224
(1S)-1-[2-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 107720608
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035
2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-N,N-dimethylacetamide
CID 107719713
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
1-[3-fluoro-4-(1-hydroxyethyl)phenoxy]-3,3-dimethylbutan-2-ol
CID 114265291
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid?
The IUPAC name of 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid (CID 107719952) is 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid?
The canonical SMILES for 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid is C[C@@H](O)c1ccc(OCc2ccc(C(=O)O)cc2)cc1F.
What is the InChIKey of 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid?
The InChIKey is KSTTZZDELYATOV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15FO4/c1-10(18)14-7-6-13(8-15(14)17)21-9-11-2-4-12(5-3-11)16(19)20/h2-8,10,18H,9H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid?
4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 107719952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).