diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate

C15H20O5 — CID 10265664

IUPACdiethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)c1ccc(O)cc1
InChIInChI=1S/C15H20O5/c1-4-19-14(17)13(15(18)20-5-2)10(3)11-6-8-12(16)9-7-11/h6-10,13,16H,4-5H2,1-3H3
InChIKeyPHOLZPFVWSMUQM-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.24
Rot. Bonds6

About diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate

diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate (PubChem CID 10265664) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
PubChem CID10265664
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namediethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)c1ccc(O)cc1
InChIInChI=1S/C15H20O5/c1-4-19-14(17)13(15(18)20-5-2)10(3)11-6-8-12(16)9-7-11/h6-10,13,16H,4-5H2,1-3H3
InChIKeyPHOLZPFVWSMUQM-UHFFFAOYSA-N
XLogP2.24
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-acetyl-3-(4-fluorophenyl)butanoate
CID 18370888
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
ethyl 2-acetyl-3-[4-(dimethylamino)phenyl]butanoate
CID 102373019
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
ethyl 2-acetyl-3-(4-nitrophenyl)butanoate
CID 18371049
ethyl 2-[2-(4-hydroxyphenyl)propanoyloxy]-3-oxobutanoate
CID 21326470
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate?
The IUPAC name of diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate (CID 10265664) is diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate.
What is the SMILES notation for diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate?
The canonical SMILES for diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate is CCOC(=O)C(C(=O)OCC)C(C)c1ccc(O)cc1.
What is the InChIKey of diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate?
The InChIKey is PHOLZPFVWSMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-4-19-14(17)13(15(18)20-5-2)10(3)11-6-8-12(16)9-7-11/h6-10,13,16H,4-5H2,1-3H3.
What are the key properties of diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate?
diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate has a molecular weight of 280.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate is sourced from PubChem (CID 10265664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).