ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate

C17H24O4 — CID 117472199

IUPACethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C)c(C)cc1OCC1CCC1
InChIInChI=1S/C17H24O4/c1-4-20-17(19)16(18)14-8-11(2)12(3)9-15(14)21-10-13-6-5-7-13/h8-9,13,16,18H,4-7,10H2,1-3H3
InChIKeyFERMOBMYIXEWMB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.08
Rot. Bonds6

About ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate

ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate (PubChem CID 117472199) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
PubChem CID117472199
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(C)c(C)cc1OCC1CCC1
InChIInChI=1S/C17H24O4/c1-4-20-17(19)16(18)14-8-11(2)12(3)9-15(14)21-10-13-6-5-7-13/h8-9,13,16,18H,4-7,10H2,1-3H3
InChIKeyFERMOBMYIXEWMB-UHFFFAOYSA-N
XLogP3.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
ethyl 2-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetate
CID 117497861
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
CID 117449897
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
cyclobutyl-(4-ethoxy-2,5-dimethylphenyl)methanol
CID 82049139
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate (CID 117472199) is ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cc(C)c(C)cc1OCC1CCC1.
What is the InChIKey of ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate?
The InChIKey is FERMOBMYIXEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-4-20-17(19)16(18)14-8-11(2)12(3)9-15(14)21-10-13-6-5-7-13/h8-9,13,16,18H,4-7,10H2,1-3H3.
What are the key properties of ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate?
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate has a molecular weight of 292.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate is sourced from PubChem (CID 117472199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).