ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate

C14H18O5 — CID 134641178

IUPACethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
SMILESCCOC(=O)CCc1cc(O)ccc1C(=O)OCC
InChIInChI=1S/C14H18O5/c1-3-18-13(16)8-5-10-9-11(15)6-7-12(10)14(17)19-4-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyHHNFAXKKIPXJET-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate

ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate (PubChem CID 134641178) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
PubChem CID134641178
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
SMILESCCOC(=O)CCc1cc(O)ccc1C(=O)OCC
InChIInChI=1S/C14H18O5/c1-3-18-13(16)8-5-10-9-11(15)6-7-12(10)14(17)19-4-2/h6-7,9,15H,3-5,8H2,1-2H3
InChIKeyHHNFAXKKIPXJET-UHFFFAOYSA-N
XLogP2.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
ethyl 2-(bromomethyl)-4-(3-ethoxy-3-oxopropyl)benzoate
CID 134649746
ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641174
ethyl 5-(bromomethyl)-2-(3-ethoxy-3-oxopropyl)benzoate
CID 134648728
ethyl 2-(3-ethoxy-3-oxopropyl)-5-(trifluoromethyl)benzoate
CID 134644955
ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate
CID 42629411
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
ethyl 5-hydroxy-2-iodobenzoate
CID 3629154
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 3-(3-ethoxy-3-oxopropyl)-4-sulfanylbenzoate
CID 134641119
ethyl 4-chloro-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134643165
ethyl 3-[2-[(3-hydroxyphenyl)methyl]phenyl]propanoate
CID 59684927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
The IUPAC name of ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate (CID 134641178) is ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate.
What is the SMILES notation for ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
The canonical SMILES for ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate is CCOC(=O)CCc1cc(O)ccc1C(=O)OCC.
What is the InChIKey of ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
The InChIKey is HHNFAXKKIPXJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-18-13(16)8-5-10-9-11(15)6-7-12(10)14(17)19-4-2/h6-7,9,15H,3-5,8H2,1-2H3.
What are the key properties of ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate has a molecular weight of 266.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate is sourced from PubChem (CID 134641178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).