2,6-difluoro-3-hydroxy-5-methoxybenzoic acid

C8H6F2O4 — CID 18444822

IUPAC2,6-difluoro-3-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(O)c(F)c(C(=O)O)c1F
InChIInChI=1S/C8H6F2O4/c1-14-4-2-3(11)6(9)5(7(4)10)8(12)13/h2,11H,1H3,(H,12,13)
InChIKeyYWVNPQBOVVUMQY-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.38
Rot. Bonds2

About 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid

2,6-difluoro-3-hydroxy-5-methoxybenzoic acid (PubChem CID 18444822) has the molecular formula C8H6F2O4 and a molecular weight of 204.13 g/mol. Its IUPAC name is 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-hydroxy-5-methoxybenzoic acid
PubChem CID18444822
Molecular FormulaC8H6F2O4
Molecular Weight204.13 g/mol
Exact Mass204.02
IUPAC Name2,6-difluoro-3-hydroxy-5-methoxybenzoic acid
SMILESCOc1cc(O)c(F)c(C(=O)O)c1F
InChIInChI=1S/C8H6F2O4/c1-14-4-2-3(11)6(9)5(7(4)10)8(12)13/h2,11H,1H3,(H,12,13)
InChIKeyYWVNPQBOVVUMQY-UHFFFAOYSA-N
XLogP1.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-3,6-dimethoxybenzoic acid
CID 84797146
2-(2-fluoro-3-hydroxy-5,6-dimethoxyphenyl)acetic acid
CID 117331962
3-bromo-2,6-dihydroxy-4-methoxybenzoic acid
CID 139704344
2-fluoro-5-methoxy-3,4-dimethylphenol
CID 10607234
3-chloro-2-fluoro-5,6-dimethoxybenzoic acid
CID 117341260
2-chloro-6-fluoro-5-methoxy-3-methylaniline;2-chloro-6-fluoro-5-methoxy-3-methylbenzoic acid
CID 157165383
CID 163595515
CID 163595515
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
2-bromo-1-(2,6-difluoro-3,5-dimethoxyphenyl)ethanone
CID 151539993
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
methyl 2,6-difluoro-3-methoxy-5-methylbenzoate
CID 90163848
ethane;2,3,5,6-tetrafluoroterephthalic acid
CID 142538632

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid?
The IUPAC name of 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid (CID 18444822) is 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid.
What is the SMILES notation for 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid?
The canonical SMILES for 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid is COc1cc(O)c(F)c(C(=O)O)c1F.
What is the InChIKey of 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid?
The InChIKey is YWVNPQBOVVUMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O4/c1-14-4-2-3(11)6(9)5(7(4)10)8(12)13/h2,11H,1H3,(H,12,13).
What are the key properties of 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid?
2,6-difluoro-3-hydroxy-5-methoxybenzoic acid has a molecular weight of 204.13 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-hydroxy-5-methoxybenzoic acid is sourced from PubChem (CID 18444822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).