4-(2-fluoro-4-hydroxyphenyl)butanoic acid

C10H11FO3 — CID 83699430

IUPAC4-(2-fluoro-4-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(O)cc1F
InChIInChI=1S/C10H11FO3/c11-9-6-8(12)5-4-7(9)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14)
InChIKeyNHIYZAFIISBLHA-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.94
Rot. Bonds4

About 4-(2-fluoro-4-hydroxyphenyl)butanoic acid

4-(2-fluoro-4-hydroxyphenyl)butanoic acid (PubChem CID 83699430) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-(2-fluoro-4-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-hydroxyphenyl)butanoic acid
PubChem CID83699430
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name4-(2-fluoro-4-hydroxyphenyl)butanoic acid
SMILESO=C(O)CCCc1ccc(O)cc1F
InChIInChI=1S/C10H11FO3/c11-9-6-8(12)5-4-7(9)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14)
InChIKeyNHIYZAFIISBLHA-UHFFFAOYSA-N
XLogP1.94
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid
CID 117325374
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
4-(5-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904474
4-(3-carboxypropyl)-2,5-difluorobenzoic acid
CID 117361861
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
4-(3-bromo-4-fluoro-2-hydroxyphenyl)butanoic acid
CID 83904447
3-(2-fluoro-4-iodophenyl)propanoic acid
CID 91883071
4-(2,3-difluorophenyl)butanoic acid
CID 59862325
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682
4-[2-fluoro-5-(methoxymethyl)phenyl]butanoic acid
CID 117325377
4-(4-bromo-5-chloro-2-fluorophenyl)butanoic acid
CID 105399208

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-hydroxyphenyl)butanoic acid?
The IUPAC name of 4-(2-fluoro-4-hydroxyphenyl)butanoic acid (CID 83699430) is 4-(2-fluoro-4-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 4-(2-fluoro-4-hydroxyphenyl)butanoic acid?
The canonical SMILES for 4-(2-fluoro-4-hydroxyphenyl)butanoic acid is O=C(O)CCCc1ccc(O)cc1F.
What is the InChIKey of 4-(2-fluoro-4-hydroxyphenyl)butanoic acid?
The InChIKey is NHIYZAFIISBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c11-9-6-8(12)5-4-7(9)2-1-3-10(13)14/h4-6,12H,1-3H2,(H,13,14).
What are the key properties of 4-(2-fluoro-4-hydroxyphenyl)butanoic acid?
4-(2-fluoro-4-hydroxyphenyl)butanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 83699430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).