2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid

C12H11FO5 — CID 117388271

IUPAC2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1cc(F)cc(C(=O)C(=O)O)c1OC1CC1
InChIInChI=1S/C12H11FO5/c1-17-9-5-6(13)4-8(10(14)12(15)16)11(9)18-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,15,16)
InChIKeyJMZQNGHUWDBZLC-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid

2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid (PubChem CID 117388271) has the molecular formula C12H11FO5 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
PubChem CID117388271
Molecular FormulaC12H11FO5
Molecular Weight254.21 g/mol
Exact Mass254.06
IUPAC Name2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
SMILESCOc1cc(F)cc(C(=O)C(=O)O)c1OC1CC1
InChIInChI=1S/C12H11FO5/c1-17-9-5-6(13)4-8(10(14)12(15)16)11(9)18-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,15,16)
InChIKeyJMZQNGHUWDBZLC-UHFFFAOYSA-N
XLogP1.64
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
CID 84701938
2-(2-ethyl-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117324853
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
2-(3-chloro-5-fluoro-2-methoxyphenyl)-2-oxoacetic acid
CID 117337071
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
ethyl 2-(5-fluoro-2,3-dimethoxyphenyl)-2-oxoacetate
CID 117393511
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
5-chloro-2-cyclohexyloxy-3-methoxybenzoic acid
CID 113438795
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid (CID 117388271) is 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid is COc1cc(F)cc(C(=O)C(=O)O)c1OC1CC1.
What is the InChIKey of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid?
The InChIKey is JMZQNGHUWDBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO5/c1-17-9-5-6(13)4-8(10(14)12(15)16)11(9)18-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid?
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid has a molecular weight of 254.21 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117388271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).