2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid

C10H11FO3 — CID 84668066

IUPAC2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
SMILESCOc1c(C)ccc(F)c1CC(=O)O
InChIInChI=1S/C10H11FO3/c1-6-3-4-8(11)7(5-9(12)13)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCEJXNILQQXRCMN-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.77
Rot. Bonds3

About 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid

2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid (PubChem CID 84668066) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
PubChem CID84668066
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
SMILESCOc1c(C)ccc(F)c1CC(=O)O
InChIInChI=1S/C10H11FO3/c1-6-3-4-8(11)7(5-9(12)13)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyCEJXNILQQXRCMN-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-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420
2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
CID 167211953
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(7-methoxy-6-methyl-1-benzofuran-3-yl)acetic acid
CID 131261803
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
2-(3-chloro-2-methoxy-4,6-dimethylphenyl)acetic acid
CID 84692181
3-amino-2-(3-fluoro-2-methoxy-6-methylphenyl)propanoic acid
CID 84691052
2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene
CID 167222022

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid?
The IUPAC name of 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid (CID 84668066) is 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid?
The canonical SMILES for 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid is COc1c(C)ccc(F)c1CC(=O)O.
What is the InChIKey of 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid?
The InChIKey is CEJXNILQQXRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-3-4-8(11)7(5-9(12)13)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid?
2-(6-fluoro-2-methoxy-3-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-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 84668066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).