2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid

C10H11FO5 — CID 117331962

IUPAC2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
SMILESCOc1cc(O)c(F)c(CC(=O)O)c1OC
InChIInChI=1S/C10H11FO5/c1-15-7-4-6(12)9(11)5(3-8(13)14)10(7)16-2/h4,12H,3H2,1-2H3,(H,13,14)
InChIKeyBGAGIEIEBWATEZ-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.18
Rot. Bonds4

About 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid

2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid (PubChem CID 117331962) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
PubChem CID117331962
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Name2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
SMILESCOc1cc(O)c(F)c(CC(=O)O)c1OC
InChIInChI=1S/C10H11FO5/c1-15-7-4-6(12)9(11)5(3-8(13)14)10(7)16-2/h4,12H,3H2,1-2H3,(H,13,14)
InChIKeyBGAGIEIEBWATEZ-UHFFFAOYSA-N
XLogP1.18
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2-(5-chloro-2-fluoro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84797143
2,6-difluoro-3-hydroxy-5-methoxybenzoic acid
CID 18444822
3-(2,3-difluoro-5,6-dimethoxyphenyl)propanoic acid
CID 117367256
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117406006
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
3-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117361952
2-[6-bromo-2-(chloromethyl)-3,4-dimethoxyphenyl]acetic acid
CID 154229520
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid (CID 117331962) is 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid is COc1cc(O)c(F)c(CC(=O)O)c1OC.
What is the InChIKey of 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid?
The InChIKey is BGAGIEIEBWATEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c1-15-7-4-6(12)9(11)5(3-8(13)14)10(7)16-2/h4,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid?
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid has a molecular weight of 230.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117331962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).