ethyl 4-(difluoromethoxy)-3-hydroxybenzoate

C10H10F2O4 — CID 125496568

IUPACethyl 4-(difluoromethoxy)-3-hydroxybenzoate
SMILESCCOC(=O)c1ccc(OC(F)F)c(O)c1
InChIInChI=1S/C10H10F2O4/c1-2-15-9(14)6-3-4-8(7(13)5-6)16-10(11)12/h3-5,10,13H,2H2,1H3
InChIKeyFZKWVCUVCMZSEU-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.17
Rot. Bonds4

About ethyl 4-(difluoromethoxy)-3-hydroxybenzoate

ethyl 4-(difluoromethoxy)-3-hydroxybenzoate (PubChem CID 125496568) has the molecular formula C10H10F2O4 and a molecular weight of 232.18 g/mol. Its IUPAC name is ethyl 4-(difluoromethoxy)-3-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 4-(difluoromethoxy)-3-hydroxybenzoate
PubChem CID125496568
Molecular FormulaC10H10F2O4
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Nameethyl 4-(difluoromethoxy)-3-hydroxybenzoate
SMILESCCOC(=O)c1ccc(OC(F)F)c(O)c1
InChIInChI=1S/C10H10F2O4/c1-2-15-9(14)6-3-4-8(7(13)5-6)16-10(11)12/h3-5,10,13H,2H2,1H3
InChIKeyFZKWVCUVCMZSEU-UHFFFAOYSA-N
XLogP2.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(difluoromethoxy)-4-methylbenzoate
CID 153338656
ethyl 3-chlorosulfonyl-4-(difluoromethoxy)benzoate
CID 43436785
4-(difluoromethoxy)-3-hydroxybenzoic acid
CID 59224129
ethyl 3-[4-(difluoromethoxy)-3-hydroxyphenyl]propanoate
CID 134632626
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
2-(4-ethoxycarbonyl-2-hydroxyphenoxy)ethyl-trimethylazanium
CID 23160704
ethyl 5-(2-chloropropanoyl)-2-(difluoromethoxy)benzoate
CID 134645004
ethyl 3,4-diethoxybenzoate
CID 586407
ethyl 2-amino-4-(difluoromethoxy)-3-hydroxybenzoate
CID 129074023
ethyl 3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 118408203
4-ethoxycarbonyl-2-hydroxybenzoic acid
CID 51063880
ethyl 3,4-bis(1-methoxyethoxy)benzoate
CID 68655330

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethoxy)-3-hydroxybenzoate?
The IUPAC name of ethyl 4-(difluoromethoxy)-3-hydroxybenzoate (CID 125496568) is ethyl 4-(difluoromethoxy)-3-hydroxybenzoate.
What is the SMILES notation for ethyl 4-(difluoromethoxy)-3-hydroxybenzoate?
The canonical SMILES for ethyl 4-(difluoromethoxy)-3-hydroxybenzoate is CCOC(=O)c1ccc(OC(F)F)c(O)c1.
What is the InChIKey of ethyl 4-(difluoromethoxy)-3-hydroxybenzoate?
The InChIKey is FZKWVCUVCMZSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4/c1-2-15-9(14)6-3-4-8(7(13)5-6)16-10(11)12/h3-5,10,13H,2H2,1H3.
What are the key properties of ethyl 4-(difluoromethoxy)-3-hydroxybenzoate?
ethyl 4-(difluoromethoxy)-3-hydroxybenzoate has a molecular weight of 232.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethoxy)-3-hydroxybenzoate is sourced from PubChem (CID 125496568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).