methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate

C11H12F2O4 — CID 134634678

IUPACmethyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC(F)F)cc1O
InChIInChI=1S/C11H12F2O4/c1-16-10(15)5-3-7-2-4-8(6-9(7)14)17-11(12)13/h2,4,6,11,14H,3,5H2,1H3
InChIKeyWOSLCHBCMLBDBG-UHFFFAOYSA-N
MW246.21 g/mol
LogP2.10
Rot. Bonds5

About methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate

methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate (PubChem CID 134634678) has the molecular formula C11H12F2O4 and a molecular weight of 246.21 g/mol. Its IUPAC name is methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
PubChem CID134634678
Molecular FormulaC11H12F2O4
Molecular Weight246.21 g/mol
Exact Mass246.07
IUPAC Namemethyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate
SMILESCOC(=O)CCc1ccc(OC(F)F)cc1O
InChIInChI=1S/C11H12F2O4/c1-16-10(15)5-3-7-2-4-8(6-9(7)14)17-11(12)13/h2,4,6,11,14H,3,5H2,1H3
InChIKeyWOSLCHBCMLBDBG-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-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
methyl 3-[3-(difluoromethoxy)-2-fluorophenyl]propanoate
CID 134634567
methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634568
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 3-[2-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propanoate
CID 134634475
methyl 2-[[2,4-bis(difluoromethoxy)phenyl]methylamino]acetate
CID 43503462
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
methyl 3-[5-(2-fluoro-4,6-dihydroxybenzoyl)-2-hydroxyphenyl]propanoate
CID 23021513
methyl 3-[4-(difluoromethyl)-2-iodophenyl]propanoate
CID 134634691
methyl 2-(difluoromethoxy)-6-(3-methoxy-3-oxopropyl)benzoate
CID 134649355

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
The IUPAC name of methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate (CID 134634678) is methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate.
What is the SMILES notation for methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
The canonical SMILES for methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate is COC(=O)CCc1ccc(OC(F)F)cc1O.
What is the InChIKey of methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
The InChIKey is WOSLCHBCMLBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O4/c1-16-10(15)5-3-7-2-4-8(6-9(7)14)17-11(12)13/h2,4,6,11,14H,3,5H2,1H3.
What are the key properties of methyl 3-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate?
methyl 3-[4-(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-[4-(difluoromethoxy)-2-hydroxyphenyl]propanoate is sourced from PubChem (CID 134634678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).