5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid

C15H13FO5 — CID 82107186

IUPAC5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid
SMILESCOc1cc(-c2ccc(O)cc2F)cc(C(=O)O)c1OC
InChIInChI=1S/C15H13FO5/c1-20-13-6-8(5-11(15(18)19)14(13)21-2)10-4-3-9(17)7-12(10)16/h3-7,17H,1-2H3,(H,18,19)
InChIKeyYPQUOPRYYORRQI-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.91
Rot. Bonds4

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

5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid (PubChem CID 82107186) has the molecular formula C15H13FO5 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid
PubChem CID82107186
Molecular FormulaC15H13FO5
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid
SMILESCOc1cc(-c2ccc(O)cc2F)cc(C(=O)O)c1OC
InChIInChI=1S/C15H13FO5/c1-20-13-6-8(5-11(15(18)19)14(13)21-2)10-4-3-9(17)7-12(10)16/h3-7,17H,1-2H3,(H,18,19)
InChIKeyYPQUOPRYYORRQI-UHFFFAOYSA-N
XLogP2.91
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
CID 53219460
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
5-(2-fluoro-4-hydroxyphenyl)benzene-1,3-dicarboxylic acid
CID 53219708
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
5-(3,4-difluoro-5-methoxyphenyl)-2-methoxy-3-methylbenzoic acid
CID 69110325
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
3-fluoro-4-methoxyphenol
CID 14661613
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
2-(6-hydroxynaphthalen-2-yl)-3-methoxybenzoic acid
CID 123626157
5-fluoro-2-(4-methoxy-3,5-dimethylphenyl)benzoic acid
CID 83067813

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid?
The IUPAC name of 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid (CID 82107186) is 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid?
The canonical SMILES for 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid is COc1cc(-c2ccc(O)cc2F)cc(C(=O)O)c1OC.
What is the InChIKey of 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid?
The InChIKey is YPQUOPRYYORRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO5/c1-20-13-6-8(5-11(15(18)19)14(13)21-2)10-4-3-9(17)7-12(10)16/h3-7,17H,1-2H3,(H,18,19).
What are the key properties of 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid?
5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid has a molecular weight of 292.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-hydroxyphenyl)-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 82107186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).