3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid

C11H12F2O4 — CID 62395470

IUPAC3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
SMILESCC(O)(CC(=O)O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2O4/c1-11(16,6-9(14)15)7-2-4-8(5-3-7)17-10(12)13/h2-5,10,16H,6H2,1H3,(H,14,15)
InChIKeyZVTYMSDHNWJVSV-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.97
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid

3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid (PubChem CID 62395470) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
PubChem CID62395470
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Name3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
SMILESCC(O)(CC(=O)O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H12F2O4/c1-11(16,6-9(14)15)7-2-4-8(5-3-7)17-10(12)13/h2-5,10,16H,6H2,1H3,(H,14,15)
InChIKeyZVTYMSDHNWJVSV-UHFFFAOYSA-N
XLogP1.97
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-3-(dimethylamino)butanoic acid
CID 64527374
methyl 2-[4-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 62214131
2-[4-(difluoromethoxy)phenyl]-2-methylpropanamide
CID 97057512
2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentanoic acid
CID 65236992
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2,2,3,3-tetramethyl-4,4-bis(4-propan-2-yloxyphenyl)hexanedioic acid
CID 19013093
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
2-[4-(difluoromethoxy)anilino]-2-methylpropanoic acid
CID 114992858
3-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64526180

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid (CID 62395470) is 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid is CC(O)(CC(=O)O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid?
The InChIKey is ZVTYMSDHNWJVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-11(16,6-9(14)15)7-2-4-8(5-3-7)17-10(12)13/h2-5,10,16H,6H2,1H3,(H,14,15).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid?
3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid has a molecular weight of 246.21 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid is sourced from PubChem (CID 62395470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).