2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid

C13H17FO3 — CID 117353320

IUPAC2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid
SMILESCOc1c(F)cc(C(C)C)cc1C(C)C(=O)O
InChIInChI=1S/C13H17FO3/c1-7(2)9-5-10(8(3)13(15)16)12(17-4)11(14)6-9/h5-8H,1-4H3,(H,15,16)
InChIKeyIUSJYNLYHIFVEW-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.15
Rot. Bonds4

About 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid

2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid (PubChem CID 117353320) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid
PubChem CID117353320
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid
SMILESCOc1c(F)cc(C(C)C)cc1C(C)C(=O)O
InChIInChI=1S/C13H17FO3/c1-7(2)9-5-10(8(3)13(15)16)12(17-4)11(14)6-9/h5-8H,1-4H3,(H,15,16)
InChIKeyIUSJYNLYHIFVEW-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
CID 84681646
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-(3-chloro-4-fluoro-2-methoxyphenyl)propanoic acid
CID 117337131
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117454100
4-amino-4-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]butanoic acid
CID 117435434
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
CID 84680949
3-fluoro-2-methoxy-5-propan-2-ylbenzenesulfonyl chloride
CID 84711718
3-(1-carboxyethyl)-4,5-dimethoxybenzoic acid
CID 117388426
2-(2-fluoro-5-hydroxy-4-methoxyphenyl)propanoic acid
CID 117305117
2-(4-chloro-2-fluoro-5-methoxyphenyl)propanoic acid
CID 83895316
2-(5-chloro-3-fluoro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 117341280

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid (CID 117353320) is 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid is COc1c(F)cc(C(C)C)cc1C(C)C(=O)O.
What is the InChIKey of 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid?
The InChIKey is IUSJYNLYHIFVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-7(2)9-5-10(8(3)13(15)16)12(17-4)11(14)6-9/h5-8H,1-4H3,(H,15,16).
What are the key properties of 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid?
2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid has a molecular weight of 240.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117353320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).