ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate

C12H13FO4 — CID 66917327

IUPACethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC=CO)cc1F
InChIInChI=1S/C12H13FO4/c1-2-16-12(15)7-9-3-4-10(8-11(9)13)17-6-5-14/h3-6,8,14H,2,7H2,1H3
InChIKeyUQZOAQXQSATEFO-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.34
Rot. Bonds5

About ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate

ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate (PubChem CID 66917327) has the molecular formula C12H13FO4 and a molecular weight of 240.23 g/mol. Its IUPAC name is ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate
PubChem CID66917327
Molecular FormulaC12H13FO4
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Nameethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC=CO)cc1F
InChIInChI=1S/C12H13FO4/c1-2-16-12(15)7-9-3-4-10(8-11(9)13)17-6-5-14/h3-6,8,14H,2,7H2,1H3
InChIKeyUQZOAQXQSATEFO-UHFFFAOYSA-N
XLogP2.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[4-(2-ethoxy-2-oxoethyl)-3-fluorophenoxy]boronic acid
CID 169224007
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
ethyl 2-(2,3-diamino-4-fluorophenyl)acetate
CID 171024930
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 2-(5-chloro-2-fluoro-4-methylphenyl)acetate
CID 134614344
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2-(4-fluoronaphthalen-1-yl)acetate
CID 131631742
ethyl 2-[5-fluoro-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134631817
ethyl 2-[4-(bromomethyl)-2-fluoro-5-methylphenyl]acetate
CID 171017342
2-(2-ethoxy-2-oxoethyl)-5-fluorobenzoic acid
CID 169448838
acetyloxymethyl 2-(2-fluoro-4-methylphenyl)acetate
CID 58883436

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate (CID 66917327) is ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate is CCOC(=O)Cc1ccc(OC=CO)cc1F.
What is the InChIKey of ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate?
The InChIKey is UQZOAQXQSATEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO4/c1-2-16-12(15)7-9-3-4-10(8-11(9)13)17-6-5-14/h3-6,8,14H,2,7H2,1H3.
What are the key properties of ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate?
ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate has a molecular weight of 240.23 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-fluoro-4-(2-hydroxyethenoxy)phenyl]acetate is sourced from PubChem (CID 66917327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).