methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate

C11H12O5 — CID 102010870

IUPACmethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1[14C]([14CH3])=O
InChIInChI=1S/C11H12O5/c1-6(12)11-7(4-10(15)16-2)3-8(13)5-9(11)14/h3,5,13-14H,4H2,1-2H3/i1+2,6+2
InChIKeyMDYCUZHBCOPWJQ-ZYNXYYMQSA-N
MW228.20 g/mol
LogP1.02
Rot. Bonds3

About methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate

methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate (PubChem CID 102010870) has the molecular formula C11H12O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
PubChem CID102010870
Molecular FormulaC11H12O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Namemethyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)cc(O)c1[14C]([14CH3])=O
InChIInChI=1S/C11H12O5/c1-6(12)11-7(4-10(15)16-2)3-8(13)5-9(11)14/h3,5,13-14H,4H2,1-2H3/i1+2,6+2
InChIKeyMDYCUZHBCOPWJQ-ZYNXYYMQSA-N
XLogP1.02
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3,5-dihydroxy-2-phenylphenyl)acetate
CID 11230647
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 2-[2-(furan-3-carbonyl)-3,5-dihydroxyphenyl]acetate
CID 150964612
methyl 2-(5-hydroxy-2-methyl-3-pyridinyl)acetate
CID 131095817
methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
CID 174377629
methyl 2-[4-(2-methoxy-2-oxoethyl)thiophen-3-yl]acetate
CID 100929989
methyl 2-[2-(1,3-benzodioxol-5-yl)-3,5-dihydroxyphenyl]acetate
CID 11208853
methyl 2-(5-tert-butyl-1H-pyrrol-3-yl)acetate
CID 139497481
methyl 4-oxo-4-(2,4,6-trihydroxyphenyl)butanoate
CID 96710199
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate?
The IUPAC name of methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate (CID 102010870) is methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate is COC(=O)Cc1cc(O)cc(O)c1[14C]([14CH3])=O.
What is the InChIKey of methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate?
The InChIKey is MDYCUZHBCOPWJQ-ZYNXYYMQSA-N. The full InChI is InChI=1S/C11H12O5/c1-6(12)11-7(4-10(15)16-2)3-8(13)5-9(11)14/h3,5,13-14H,4H2,1-2H3/i1+2,6+2.
What are the key properties of methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate?
methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate has a molecular weight of 228.20 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-acetyl-3,5-dihydroxyphenyl)acetate is sourced from PubChem (CID 102010870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).