2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid

C11H13FO3 — CID 79418299

IUPAC2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c12-10-3-1-8(2-4-10)7-9(5-6-13)11(14)15/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyQRDMCOPYOJBJAK-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.45
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid

2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid (PubChem CID 79418299) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
PubChem CID79418299
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid
SMILESO=C(O)C(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FO3/c12-10-3-1-8(2-4-10)7-9(5-6-13)11(14)15/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyQRDMCOPYOJBJAK-UHFFFAOYSA-N
XLogP1.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl]-3-hydroxypropanoic acid
CID 54270409
2-[(4-fluorophenyl)methyl]-5-hydroxy-5-methylhexanoic acid
CID 79419187
2-[(4-fluorophenyl)methyl]-3-(4-iodophenyl)propanoic acid
CID 65477236
2-[(4-fluorophenyl)methyl]hept-5-ynoic acid
CID 104808847
2-[(4-fluorophenyl)methyl]-4-(trifluoromethoxy)butanoic acid
CID 79418942
2-[(4-fluorophenyl)methyl]hept-6-enoic acid
CID 79418629
2-[(4-fluorophenyl)methyl]-4-(3-methylbutoxy)butanoic acid
CID 61484221
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
2-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 114930793
2-[(4-fluorophenyl)methyl]-4-(3-methoxypropoxy)butanoic acid
CID 103181428
2-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793915
5-hydroxy-2-[(4-methylphenyl)methyl]pentanoic acid
CID 79419105

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid (CID 79418299) is 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid is O=C(O)C(CCO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid?
The InChIKey is QRDMCOPYOJBJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c12-10-3-1-8(2-4-10)7-9(5-6-13)11(14)15/h1-4,9,13H,5-7H2,(H,14,15).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid?
2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-hydroxybutanoic acid is sourced from PubChem (CID 79418299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).