2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid

C10H11FO3 — CID 117287612

IUPAC2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)cc(C)c1F
InChIInChI=1S/C10H11FO3/c1-6-3-7(5-9(12)13)4-8(14-2)10(6)11/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyDUQKFDHPDIQYQU-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.77
Rot. Bonds3

About 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid

2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid (PubChem CID 117287612) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
PubChem CID117287612
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)cc(C)c1F
InChIInChI=1S/C10H11FO3/c1-6-3-7(5-9(12)13)4-8(14-2)10(6)11/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyDUQKFDHPDIQYQU-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-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-[4-(bromomethyl)-2-methoxy-6-methylphenyl]acetic acid
CID 171011048
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(2,5-difluoro-3-methylphenyl)acetic acid
CID 118999566
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetic acid
CID 519805
2-[2-(4-fluoro-3,5-dimethylphenyl)ethoxy]acetic acid
CID 65296765
2-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)acetic acid
CID 18444799
2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
CID 91620100
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
2-(2-fluoro-3,5,6-trimethylphenyl)acetic acid
CID 84773961

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid (CID 117287612) is 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid is COc1cc(CC(=O)O)cc(C)c1F.
What is the InChIKey of 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid?
The InChIKey is DUQKFDHPDIQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-3-7(5-9(12)13)4-8(14-2)10(6)11/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid?
2-(4-fluoro-3-methoxy-5-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-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 117287612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).