ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate

C13H18O5 — CID 117388855

IUPACethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(OC)cc1COC
InChIInChI=1S/C13H18O5/c1-4-18-13(15)12(14)11-6-5-10(17-3)7-9(11)8-16-2/h5-7,12,14H,4,8H2,1-3H3
InChIKeyPVDDIFRBYFSFKV-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate

ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate (PubChem CID 117388855) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
PubChem CID117388855
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Nameethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
SMILESCCOC(=O)C(O)c1ccc(OC)cc1COC
InChIInChI=1S/C13H18O5/c1-4-18-13(15)12(14)11-6-5-10(17-3)7-9(11)8-16-2/h5-7,12,14H,4,8H2,1-3H3
InChIKeyPVDDIFRBYFSFKV-UHFFFAOYSA-N
XLogP1.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457710
ethyl 2-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117433339
ethyl 2-[4-methoxy-2-(methoxymethyl)phenyl]-2-oxoacetate
CID 117383431
ethyl 3-amino-3-(2-ethyl-4-methoxyphenyl)propanoate
CID 5125045
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967
diethyl 2-(2,4-dimethoxyphenyl)propanedioate
CID 13193850
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
ethyl 2-(3-bromo-2-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117492085
ethyl 2-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117457712
1-[5-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117286314
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate (CID 117388855) is ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate is CCOC(=O)C(O)c1ccc(OC)cc1COC.
What is the InChIKey of ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate?
The InChIKey is PVDDIFRBYFSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-4-18-13(15)12(14)11-6-5-10(17-3)7-9(11)8-16-2/h5-7,12,14H,4,8H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate?
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate has a molecular weight of 254.28 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate is sourced from PubChem (CID 117388855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).