ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate

C16H20O4 — CID 20515140

IUPACethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(C2CCCCC2)c(O)c1
InChIInChI=1S/C16H20O4/c1-2-20-16(19)15(18)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h8-11,17H,2-7H2,1H3
InChIKeyGIQHSKKEOUOJNA-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.19
Rot. Bonds4

About ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate

ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate (PubChem CID 20515140) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate
PubChem CID20515140
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ccc(C2CCCCC2)c(O)c1
InChIInChI=1S/C16H20O4/c1-2-20-16(19)15(18)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h8-11,17H,2-7H2,1H3
InChIKeyGIQHSKKEOUOJNA-UHFFFAOYSA-N
XLogP3.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-acetamido-4-cyclohexylphenyl)-2-oxoacetate
CID 20565995
1-(4-cyclohexyl-3-hydroxyphenyl)ethanone
CID 53423517
ethyl 5-cyclohexyl-4-hydroxy-2-methylbenzoate
CID 155685861
ethyl 3-(4-cycloheptyl-3-hydroxyphenyl)butanoate
CID 22718788
2-cycloheptyl-5-methylphenol
CID 45096882
ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
CID 53231119
4-cyclohexyl-3-ethoxybenzoic acid
CID 163304407
ethyl 2-(3-chloro-4-cyclopentylsulfanylphenyl)-2-oxoacetate
CID 67191294
ethyl 2-(4-hydroxyphenyl)-2-oxoacetate
CID 11715332
ethyl 2-[4-(4-methylcyclohexyl)phenyl]-2-oxoacetate
CID 117438595
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate (CID 20515140) is ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate is CCOC(=O)C(=O)c1ccc(C2CCCCC2)c(O)c1.
What is the InChIKey of ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate?
The InChIKey is GIQHSKKEOUOJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-2-20-16(19)15(18)12-8-9-13(14(17)10-12)11-6-4-3-5-7-11/h8-11,17H,2-7H2,1H3.
What are the key properties of ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate?
ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate has a molecular weight of 276.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclohexyl-3-hydroxyphenyl)-2-oxoacetate is sourced from PubChem (CID 20515140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).