methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate

C12H14O5 — CID 19356355

IUPACmethyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(O)cc1CC(=O)OC
InChIInChI=1S/C12H14O5/c1-16-11(14)6-8-3-4-10(13)5-9(8)7-12(15)17-2/h3-5,13H,6-7H2,1-2H3
InChIKeyNUJHJOYFWHCMIE-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate

methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate (PubChem CID 19356355) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
PubChem CID19356355
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Namemethyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(O)cc1CC(=O)OC
InChIInChI=1S/C12H14O5/c1-16-11(14)6-8-3-4-10(13)5-9(8)7-12(15)17-2/h3-5,13H,6-7H2,1-2H3
InChIKeyNUJHJOYFWHCMIE-UHFFFAOYSA-N
XLogP0.82
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
CID 174377629
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-[2-(3-chloro-2-oxopropyl)-5-methylphenyl]acetate
CID 134614159
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-(4-acetyl-2-iodophenyl)acetate
CID 121231892
methyl 2-(4-bromo-2-iodophenyl)acetate
CID 86241402

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate (CID 19356355) is methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate is COC(=O)Cc1ccc(O)cc1CC(=O)OC.
What is the InChIKey of methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
The InChIKey is NUJHJOYFWHCMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-16-11(14)6-8-3-4-10(13)5-9(8)7-12(15)17-2/h3-5,13H,6-7H2,1-2H3.
What are the key properties of methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate?
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate has a molecular weight of 238.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate is sourced from PubChem (CID 19356355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).