ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate

C12H14F2O4 — CID 134632501

IUPACethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)c(OC(F)F)c1
InChIInChI=1S/C12H14F2O4/c1-2-17-11(16)6-4-8-3-5-9(15)10(7-8)18-12(13)14/h3,5,7,12,15H,2,4,6H2,1H3
InChIKeyCULHFTBVNJQWFP-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.49
Rot. Bonds6

About ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate

ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate (PubChem CID 134632501) has the molecular formula C12H14F2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
PubChem CID134632501
Molecular FormulaC12H14F2O4
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Nameethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
SMILESCCOC(=O)CCc1ccc(O)c(OC(F)F)c1
InChIInChI=1S/C12H14F2O4/c1-2-17-11(16)6-4-8-3-5-9(15)10(7-8)18-12(13)14/h3,5,7,12,15H,2,4,6H2,1H3
InChIKeyCULHFTBVNJQWFP-UHFFFAOYSA-N
XLogP2.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4-(difluoromethoxy)-3-hydroxyphenyl]propanoate
CID 134632626
ethyl 3-[3-(difluoromethoxy)-4-fluorophenyl]propanoate
CID 134632500
ethyl 3-[3-(difluoromethoxy)-4-(trifluoromethyl)phenyl]propanoate
CID 134632499
ethyl 3-[4-hydroxy-3-(3-methoxypropoxy)phenyl]propanoate
CID 66907182
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
4-(3-chloropropyl)-2-(difluoromethoxy)phenol
CID 118807022
ethyl 3-[4-bromo-3-(difluoromethyl)phenyl]propanoate
CID 134632659
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
methyl 2-(difluoromethoxy)-4-(3-methoxy-3-oxopropyl)benzoate
CID 134649354
2-(difluoromethyl)-4-(3-ethoxy-3-oxopropyl)benzoic acid
CID 118803628
ethyl 3-[3-(difluoromethoxy)-5-iodophenyl]propanoate
CID 134632506
2-[2-(difluoromethyl)-5-(3-ethoxy-3-oxopropyl)phenyl]acetic acid
CID 118843149

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate?
The IUPAC name of ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate (CID 134632501) is ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate?
The canonical SMILES for ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate is CCOC(=O)CCc1ccc(O)c(OC(F)F)c1.
What is the InChIKey of ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate?
The InChIKey is CULHFTBVNJQWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O4/c1-2-17-11(16)6-4-8-3-5-9(15)10(7-8)18-12(13)14/h3,5,7,12,15H,2,4,6H2,1H3.
What are the key properties of ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate?
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate has a molecular weight of 260.24 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate is sourced from PubChem (CID 134632501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).