ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate

C14H18O5 — CID 117419486

IUPACethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(C)C)cc(OC)c1O
InChIInChI=1S/C14H18O5/c1-5-19-14(17)13(16)10-6-9(8(2)3)7-11(18-4)12(10)15/h6-8,15H,5H2,1-4H3
InChIKeyOFCFGHBZDKYENC-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.27
Rot. Bonds5

About ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate

ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate (PubChem CID 117419486) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
PubChem CID117419486
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nameethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1cc(C(C)C)cc(OC)c1O
InChIInChI=1S/C14H18O5/c1-5-19-14(17)13(16)10-6-9(8(2)3)7-11(18-4)12(10)15/h6-8,15H,5H2,1-4H3
InChIKeyOFCFGHBZDKYENC-UHFFFAOYSA-N
XLogP2.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate
CID 117458393
ethyl 2-(5-cyano-2-hydroxy-3-methoxyphenyl)-2-oxoacetate
CID 117375278
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
ethyl 2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-oxoacetate
CID 95470469
ethyl 2-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)-2-oxoacetate
CID 117433104
ethyl 2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-2-oxoacetate
CID 117466332
ethyl 2-(3-fluoro-4-hydroxy-5-methoxyphenyl)-2-oxoacetate
CID 117356980
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
5-(2-ethoxy-2-oxoacetyl)-2-hydroxy-4-methoxybenzoic acid
CID 117423954
3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117384048
4-[(1S)-1-amino-2-methylbutyl]-2,6-dimethoxyphenol
CID 171219341
ethyl 2-(2-fluoro-5-methoxy-4-methylphenyl)-2-oxoacetate
CID 117352671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate (CID 117419486) is ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate is CCOC(=O)C(=O)c1cc(C(C)C)cc(OC)c1O.
What is the InChIKey of ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate?
The InChIKey is OFCFGHBZDKYENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-5-19-14(17)13(16)10-6-9(8(2)3)7-11(18-4)12(10)15/h6-8,15H,5H2,1-4H3.
What are the key properties of ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate?
ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate has a molecular weight of 266.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-oxoacetate is sourced from PubChem (CID 117419486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).