2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid

C11H13FO4 — CID 117328325

IUPAC2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(CC(=O)O)c(F)cc1OC
InChIInChI=1S/C11H13FO4/c1-15-6-8-3-7(4-11(13)14)9(12)5-10(8)16-2/h3,5H,4,6H2,1-2H3,(H,13,14)
InChIKeyMQHLERQVGPXJQV-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.61
Rot. Bonds5

About 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid

2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid (PubChem CID 117328325) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
PubChem CID117328325
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(CC(=O)O)c(F)cc1OC
InChIInChI=1S/C11H13FO4/c1-15-6-8-3-7(4-11(13)14)9(12)5-10(8)16-2/h3,5H,4,6H2,1-2H3,(H,13,14)
InChIKeyMQHLERQVGPXJQV-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
2-amino-3-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117395987
N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117306502
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
CID 117357480
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117330301
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054
2-fluoro-4-methoxy-5-(methoxymethyl)benzonitrile
CID 117284978
2-(4-acetyloxy-2,5-difluorophenyl)acetic acid
CID 166114241
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-[1-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117424192

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid (CID 117328325) is 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid is COCc1cc(CC(=O)O)c(F)cc1OC.
What is the InChIKey of 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid?
The InChIKey is MQHLERQVGPXJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-15-6-8-3-7(4-11(13)14)9(12)5-10(8)16-2/h3,5H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid?
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid has a molecular weight of 228.22 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 117328325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).