4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid

C10H10ClFO5 — CID 171877631

IUPAC4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C10H10ClFO5/c11-4-1-5(9(16)6(12)2-4)10(17)7(13)3-8(14)15/h1-2,7,10,13,16-17H,3H2,(H,14,15)
InChIKeyBJQGTOBRGGRLDZ-UHFFFAOYSA-N
MW264.64 g/mol
LogP1.05
Rot. Bonds4

About 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid

4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877631) has the molecular formula C10H10ClFO5 and a molecular weight of 264.64 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
PubChem CID171877631
Molecular FormulaC10H10ClFO5
Molecular Weight264.64 g/mol
Exact Mass264.02
IUPAC Name4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C10H10ClFO5/c11-4-1-5(9(16)6(12)2-4)10(17)7(13)3-8(14)15/h1-2,7,10,13,16-17H,3H2,(H,14,15)
InChIKeyBJQGTOBRGGRLDZ-UHFFFAOYSA-N
XLogP1.05
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817814
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
1-(5-chloro-3-fluoro-2-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874048
4-(2-amino-4-chlorophenyl)-3,4-dihydroxybutanoic acid
CID 171877376
4-(5-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877710
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
4-(2,5-dichloro-4-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877633
4-(4-fluoro-3-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877281
4-(2,5-difluoro-4-formylphenyl)-3,4-dihydroxybutanoic acid
CID 171878026
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanoic acid
CID 171877711
4-(5-chloro-3-formyl-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171899432
4-(2-cyano-4,5-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878097

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid (CID 171877631) is 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1cc(Cl)cc(F)c1O.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
The InChIKey is BJQGTOBRGGRLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO5/c11-4-1-5(9(16)6(12)2-4)10(17)7(13)3-8(14)15/h1-2,7,10,13,16-17H,3H2,(H,14,15).
What are the key properties of 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid?
4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid has a molecular weight of 264.64 g/mol, XLogP of 1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).