4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid

C10H11FO5 — CID 171877281

IUPAC4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(F)c(O)c1
InChIInChI=1S/C10H11FO5/c11-6-2-1-5(3-7(6)12)10(16)8(13)4-9(14)15/h1-3,8,10,12-13,16H,4H2,(H,14,15)
InChIKeyNQGYVJOWUVOZKK-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.40
Rot. Bonds4

About 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid

4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877281) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877281
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(F)c(O)c1
InChIInChI=1S/C10H11FO5/c11-6-2-1-5(3-7(6)12)10(16)8(13)4-9(14)15/h1-3,8,10,12-13,16H,4H2,(H,14,15)
InChIKeyNQGYVJOWUVOZKK-UHFFFAOYSA-N
XLogP0.40
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyano-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877807
4-(3,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878028
2-fluoro-5-(1-hydroxy-2-nitropropyl)phenol
CID 59470562
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
5-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoic acid
CID 171897642
4-(4-cyano-3,5-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878096
4-(4-amino-3-bromophenyl)-3,4-dihydroxybutanoic acid
CID 171878770
4-[4-amino-3-(trifluoromethyl)phenyl]-3,4-dihydroxybutanoic acid
CID 171878324
tert-butyl N-[4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171884447
4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid
CID 171877991
3-(3-carboxy-1,2-dihydroxypropyl)benzoic acid
CID 171877534
4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877631

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid (CID 171877281) is 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1ccc(F)c(O)c1.
What is the InChIKey of 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is NQGYVJOWUVOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c11-6-2-1-5(3-7(6)12)10(16)8(13)4-9(14)15/h1-3,8,10,12-13,16H,4H2,(H,14,15).
What are the key properties of 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 230.19 g/mol, XLogP of 0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).