methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate

C11H12F2O4 — CID 134634568

IUPACmethyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
SMILESCOC(=O)CCc1cccc(OC(F)F)c1O
InChIInChI=1S/C11H12F2O4/c1-16-9(14)6-5-7-3-2-4-8(10(7)15)17-11(12)13/h2-4,11,15H,5-6H2,1H3
InChIKeyIXNGRQRQZCDCHA-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.10
Rot. Bonds5

About methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate

methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate (PubChem CID 134634568) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
PubChem CID134634568
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Namemethyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
SMILESCOC(=O)CCc1cccc(OC(F)F)c1O
InChIInChI=1S/C11H12F2O4/c1-16-9(14)6-5-7-3-2-4-8(10(7)15)17-11(12)13/h2-4,11,15H,5-6H2,1H3
InChIKeyIXNGRQRQZCDCHA-UHFFFAOYSA-N
XLogP2.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate
CID 134634567
methyl 2-(difluoromethoxy)-6-(3-methoxy-3-oxopropyl)benzoate
CID 134649355
methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
methyl 3-[2-(difluoromethoxy)-6-(trifluoromethyl)phenyl]propanoate
CID 134634458
methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634678
ethyl 3-[3-(difluoromethoxy)-2-iodophenyl]propanoate
CID 134632496
methyl 3-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111865272
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid
CID 135740859
methyl 2-(difluoromethoxy)-4-(3-methoxy-3-oxopropyl)benzoate
CID 134649354
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
methyl 4-(2-hydroxy-3-iodophenyl)butanoate
CID 155290713

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
The IUPAC name of methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate (CID 134634568) is methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
The canonical SMILES for methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate is COC(=O)CCc1cccc(OC(F)F)c1O.
What is the InChIKey of methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
The InChIKey is IXNGRQRQZCDCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-16-9(14)6-5-7-3-2-4-8(10(7)15)17-11(12)13/h2-4,11,15H,5-6H2,1H3.
What are the key properties of methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate has a molecular weight of 246.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate is sourced from PubChem (CID 134634568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).