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

C14H18O5 — CID 134641174

IUPACethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
SMILESCCOC(=O)CCc1cc(C(=O)OCC)ccc1O
InChIInChI=1S/C14H18O5/c1-3-18-13(16)8-6-10-9-11(5-7-12(10)15)14(17)19-4-2/h5,7,9,15H,3-4,6,8H2,1-2H3
InChIKeyDZTFVLJYKIUWBO-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.06
Rot. Bonds6

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

ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate (PubChem CID 134641174) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
PubChem CID134641174
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
SMILESCCOC(=O)CCc1cc(C(=O)OCC)ccc1O
InChIInChI=1S/C14H18O5/c1-3-18-13(16)8-6-10-9-11(5-7-12(10)15)14(17)19-4-2/h5,7,9,15H,3-4,6,8H2,1-2H3
InChIKeyDZTFVLJYKIUWBO-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-(chloromethyl)-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134649107
ethyl 4-hydroxy-3-(2-hydroxyethyl)benzoate
CID 119089114
ethyl 5-[3-(3-ethoxy-3-oxopropyl)-4-hydroxyphenyl]-5-oxopentanoate
CID 54397227
ethyl 3-(3-ethoxy-3-oxopropyl)-4-sulfanylbenzoate
CID 134641119
ethyl 4-chloro-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134643165
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295
ethyl 4-(3-ethoxy-3-oxopropyl)-3-methylsulfanylbenzoate
CID 134642317
methyl 4-(chloromethyl)-3-(3-ethoxy-3-oxopropyl)benzoate
CID 134648996
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-4-methoxybenzoyl]benzoate
CID 14739655
ethyl 3,4-dibutylbenzoate
CID 166060053
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
ethyl 4-hydroxy-3-iodobenzoate
CID 11220038

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
The IUPAC name of ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate (CID 134641174) is ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate.
What is the SMILES notation for ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
The canonical SMILES for ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate is CCOC(=O)CCc1cc(C(=O)OCC)ccc1O.
What is the InChIKey of ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
The InChIKey is DZTFVLJYKIUWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-18-13(16)8-6-10-9-11(5-7-12(10)15)14(17)19-4-2/h5,7,9,15H,3-4,6,8H2,1-2H3.
What are the key properties of ethyl 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate?
ethyl 3-(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 3-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate is sourced from PubChem (CID 134641174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).