3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid

C10H11FO5 — CID 170823857

IUPAC3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCOc1c(F)cccc1C(O)C(O)C(=O)O
InChIInChI=1S/C10H11FO5/c1-16-9-5(3-2-4-6(9)11)7(12)8(13)10(14)15/h2-4,7-8,12-13H,1H3,(H,14,15)
InChIKeyQSOJUPRUBGVDEA-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.31
Rot. Bonds4

About 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid

3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823857) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
PubChem CID170823857
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
SMILESCOc1c(F)cccc1C(O)C(O)C(=O)O
InChIInChI=1S/C10H11FO5/c1-16-9-5(3-2-4-6(9)11)7(12)8(13)10(14)15/h2-4,7-8,12-13H,1H3,(H,14,15)
InChIKeyQSOJUPRUBGVDEA-UHFFFAOYSA-N
XLogP0.31
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
CID 117449300
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
3-(2-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823546
2-(2-carboxy-1,2-dihydroxyethyl)-6-fluorobenzoic acid
CID 170824233
potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide
CID 163265760
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863620
2-(3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117310475
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
2-chloro-N-[(1S)-1-(3-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 167751096
3-(2-fluoro-4-methoxycarbonylphenyl)-2,3-dihydroxypropanoic acid
CID 170824508

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid (CID 170823857) is 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid is COc1c(F)cccc1C(O)C(O)C(=O)O.
What is the InChIKey of 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid?
The InChIKey is QSOJUPRUBGVDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c1-16-9-5(3-2-4-6(9)11)7(12)8(13)10(14)15/h2-4,7-8,12-13H,1H3,(H,14,15).
What are the key properties of 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid?
3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid has a molecular weight of 230.19 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).