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

C9H9FO2 — CID 5016950

IUPAC2-(4-fluoro-2-methylphenyl)acetic acid
SMILESCc1cc(F)ccc1CC(=O)O
InChIInChI=1S/C9H9FO2/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyKOZXQTAPRQFRLT-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.76
Rot. Bonds2

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

2-(4-fluoro-2-methylphenyl)acetic acid (PubChem CID 5016950) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)acetic acid
PubChem CID5016950
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-(4-fluoro-2-methylphenyl)acetic acid
SMILESCc1cc(F)ccc1CC(=O)O
InChIInChI=1S/C9H9FO2/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyKOZXQTAPRQFRLT-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
1,1-difluoro-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347353
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
2-(4-fluoro-2-methyl-5-nitrophenyl)acetic acid;2-(4-fluoro-2-methylphenyl)acetic acid
CID 158047916
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
CID 65056319
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
1-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-one
CID 114347218
4,4,4-trifluoro-1-(4-fluoro-2-methylphenyl)butan-2-one
CID 114347174
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
3-[(4-fluoro-2-methylphenyl)methylsulfanyl]propanoic acid
CID 114345698

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)acetic acid?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)acetic acid (CID 5016950) is 2-(4-fluoro-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)acetic acid is Cc1cc(F)ccc1CC(=O)O.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)acetic acid?
The InChIKey is KOZXQTAPRQFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(4-fluoro-2-methylphenyl)acetic acid?
2-(4-fluoro-2-methylphenyl)acetic acid has a molecular weight of 168.17 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)acetic acid is sourced from PubChem (CID 5016950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).