ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate

C15H20O5 — CID 117449897

IUPACethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(OC)c1OCC1CC1
InChIInChI=1S/C15H20O5/c1-3-19-15(17)13(16)11-5-4-6-12(18-2)14(11)20-9-10-7-8-10/h4-6,10,13,16H,3,7-9H2,1-2H3
InChIKeyOGYIUHHRHBKXBP-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.08
Rot. Bonds7

About ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate

ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate (PubChem CID 117449897) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
PubChem CID117449897
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(OC)c1OCC1CC1
InChIInChI=1S/C15H20O5/c1-3-19-15(17)13(16)11-5-4-6-12(18-2)14(11)20-9-10-7-8-10/h4-6,10,13,16H,3,7-9H2,1-2H3
InChIKeyOGYIUHHRHBKXBP-UHFFFAOYSA-N
XLogP2.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-hydroxy-2-[3-methoxy-2-(oxetan-3-yloxy)phenyl]acetate
CID 117453495
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
3-[2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-1-amine
CID 117377475
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
ethyl 2-[(2,3-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62394370
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
ethyl 2-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetate
CID 117497861
ethyl 2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-oxoacetate
CID 117497753

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate (CID 117449897) is ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(OC)c1OCC1CC1.
What is the InChIKey of ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate?
The InChIKey is OGYIUHHRHBKXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-19-15(17)13(16)11-5-4-6-12(18-2)14(11)20-9-10-7-8-10/h4-6,10,13,16H,3,7-9H2,1-2H3.
What are the key properties of ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate?
ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate has a molecular weight of 280.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-hydroxyacetate is sourced from PubChem (CID 117449897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).