2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid

C11H13FO3 — CID 164893503

IUPAC2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid
SMILESCc1cc(OC(C)C)c(F)c(C(=O)O)c1
InChIInChI=1S/C11H13FO3/c1-6(2)15-9-5-7(3)4-8(10(9)12)11(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyJSQBIKWJRSIXGV-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.62
Rot. Bonds3

About 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid

2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid (PubChem CID 164893503) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid
PubChem CID164893503
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid
SMILESCc1cc(OC(C)C)c(F)c(C(=O)O)c1
InChIInChI=1S/C11H13FO3/c1-6(2)15-9-5-7(3)4-8(10(9)12)11(13)14/h4-6H,1-3H3,(H,13,14)
InChIKeyJSQBIKWJRSIXGV-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-2-fluoro-5-methylbenzoic acid
CID 164892614
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
CID 118331973
benzene;2-fluoro-5-methylbenzene-1,3-dicarboxylic acid;isocyanic acid
CID 174576861
2,5-dimethyl-1-methylsulfanyl-3-propan-2-yloxybenzene
CID 153335251
4-fluoro-3,5-di(propan-2-yloxy)benzoic acid;[4-fluoro-3,5-di(propan-2-yloxy)phenyl]methanol
CID 162192945
2,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrole-3-carboxylic acid
CID 82134559
2-(bromomethyl)-3-(difluoromethoxy)-5-methylbenzoic acid
CID 171023579
5-chloro-2-methoxy-4-propan-2-yloxybenzoic acid
CID 54184190
3-methoxy-5-methylphthalic acid
CID 12908895
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
4-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 164827443
2-methyl-5-phenoxy-3-propan-2-yloxybenzoic acid
CID 66969425

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid?
The IUPAC name of 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid (CID 164893503) is 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid.
What is the SMILES notation for 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid?
The canonical SMILES for 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid is Cc1cc(OC(C)C)c(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid?
The InChIKey is JSQBIKWJRSIXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-6(2)15-9-5-7(3)4-8(10(9)12)11(13)14/h4-6H,1-3H3,(H,13,14).
What are the key properties of 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid?
2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-3-propan-2-yloxybenzoic acid is sourced from PubChem (CID 164893503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).