2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid

C10H11FO3 — CID 171019420

IUPAC2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
SMILESCOc1c(C)ccc(CC(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-6-3-4-7(5-8(12)13)9(11)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyOAEGGPLTMBQUKA-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.77
Rot. Bonds3

About 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid

2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid (PubChem CID 171019420) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
PubChem CID171019420
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
SMILESCOc1c(C)ccc(CC(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-6-3-4-7(5-8(12)13)9(11)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyOAEGGPLTMBQUKA-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
3-fluoro-2-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 130328241
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid
CID 131261803
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
butane;1,2-difluoro-3-methoxy-4-methylbenzene
CID 166159976
2-(7-methoxy-1,4-dimethylindol-2-yl)acetic acid
CID 83859941
3-(5-bromo-2,4-difluoro-3-methoxyphenyl)propanoic acid
CID 117475612
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
[3-fluoro-4-(5-hydroxypentyl)-2-methoxyphenyl]carbamic acid
CID 146176439
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117348985

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid (CID 171019420) is 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid is COc1c(C)ccc(CC(=O)O)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid?
The InChIKey is OAEGGPLTMBQUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-3-4-7(5-8(12)13)9(11)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid?
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid has a molecular weight of 198.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid is sourced from PubChem (CID 171019420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).