2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid

C10H11FO4 — CID 117305010

IUPAC2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid
SMILESCOCc1ccc(OC)c(C(=O)O)c1F
InChIInChI=1S/C10H11FO4/c1-14-5-6-3-4-7(15-2)8(9(6)11)10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyKVBNUAGQSOFAFZ-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.68
Rot. Bonds4

About 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid

2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid (PubChem CID 117305010) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid
PubChem CID117305010
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid
SMILESCOCc1ccc(OC)c(C(=O)O)c1F
InChIInChI=1S/C10H11FO4/c1-14-5-6-3-4-7(15-2)8(9(6)11)10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyKVBNUAGQSOFAFZ-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117451194
1-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305499
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
4-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]butan-1-amine
CID 117355397
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
6-(bromomethyl)-2-chloro-3-methoxybenzoic acid
CID 171020706
2-amino-1-[2,3-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306249

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid (CID 117305010) is 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid is COCc1ccc(OC)c(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid?
The InChIKey is KVBNUAGQSOFAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-5-6-3-4-7(15-2)8(9(6)11)10(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid?
2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid has a molecular weight of 214.19 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-3-(methoxymethyl)benzoic acid is sourced from PubChem (CID 117305010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).