4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid

C11H13FO4 — CID 43561615

IUPAC4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
SMILESCOc1ccc(C(O)CCC(=O)O)c(F)c1
InChIInChI=1S/C11H13FO4/c1-16-7-2-3-8(9(12)6-7)10(13)4-5-11(14)15/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyRCYKZPMZMKYUQD-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.73
Rot. Bonds5

About 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid

4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid (PubChem CID 43561615) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
PubChem CID43561615
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
SMILESCOc1ccc(C(O)CCC(=O)O)c(F)c1
InChIInChI=1S/C11H13FO4/c1-16-7-2-3-8(9(12)6-7)10(13)4-5-11(14)15/h2-3,6,10,13H,4-5H2,1H3,(H,14,15)
InChIKeyRCYKZPMZMKYUQD-UHFFFAOYSA-N
XLogP1.73
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
5-amino-5-(2-fluoro-4-methoxyphenyl)pentanoic acid
CID 43561605
4-(2-fluoro-4-methoxyphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297395
4-(2-fluoro-4-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877553
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
1-(2-fluoro-4-methoxyphenyl)oct-7-en-1-ol
CID 107008668
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
4-amino-4-[4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117443816
1-(2-fluoro-4-methoxyphenyl)-2-propan-2-yloxyethanol
CID 81304350
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
4-(2-fluoro-4-methoxyphenyl)-4-oxobutanoic acid
CID 43561181

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid (CID 43561615) is 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid is COc1ccc(C(O)CCC(=O)O)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid?
The InChIKey is RCYKZPMZMKYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-16-7-2-3-8(9(12)6-7)10(13)4-5-11(14)15/h2-3,6,10,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid?
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid has a molecular weight of 228.22 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 43561615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).