methyl 2-acetyl-4-hydroxy-5-methoxybenzoate

C11H12O5 — CID 58345568

IUPACmethyl 2-acetyl-4-hydroxy-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)cc1C(C)=O
InChIInChI=1S/C11H12O5/c1-6(12)7-4-9(13)10(15-2)5-8(7)11(14)16-3/h4-5,13H,1-3H3
InChIKeyFWSYAKUGUWXKEC-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.39
Rot. Bonds3

About methyl 2-acetyl-4-hydroxy-5-methoxybenzoate

methyl 2-acetyl-4-hydroxy-5-methoxybenzoate (PubChem CID 58345568) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is methyl 2-acetyl-4-hydroxy-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-acetyl-4-hydroxy-5-methoxybenzoate
PubChem CID58345568
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Namemethyl 2-acetyl-4-hydroxy-5-methoxybenzoate
SMILESCOC(=O)c1cc(OC)c(O)cc1C(C)=O
InChIInChI=1S/C11H12O5/c1-6(12)7-4-9(13)10(15-2)5-8(7)11(14)16-3/h4-5,13H,1-3H3
InChIKeyFWSYAKUGUWXKEC-UHFFFAOYSA-N
XLogP1.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethoxy-2-methoxycarbonylbenzoic acid
CID 23423205
dimethyl 6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 10494700
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
2-(2-acetyl-5-hydroxy-4-methoxyphenyl)acetonitrile
CID 11095744
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
propan-2-yl 4-hydroxy-5-methoxy-2-(4-prop-1-en-2-ylbenzoyl)benzoate
CID 89441760
methyl 5-acetyl-2-fluoro-4-hydroxybenzoate
CID 169443654
methyl 3-acetyl-4-methoxybenzoate
CID 10798398
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2-hydroxy-5-methoxy-4-nitrobenzoate
CID 165356318

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyl-4-hydroxy-5-methoxybenzoate?
The IUPAC name of methyl 2-acetyl-4-hydroxy-5-methoxybenzoate (CID 58345568) is methyl 2-acetyl-4-hydroxy-5-methoxybenzoate.
What is the SMILES notation for methyl 2-acetyl-4-hydroxy-5-methoxybenzoate?
The canonical SMILES for methyl 2-acetyl-4-hydroxy-5-methoxybenzoate is COC(=O)c1cc(OC)c(O)cc1C(C)=O.
What is the InChIKey of methyl 2-acetyl-4-hydroxy-5-methoxybenzoate?
The InChIKey is FWSYAKUGUWXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-6(12)7-4-9(13)10(15-2)5-8(7)11(14)16-3/h4-5,13H,1-3H3.
What are the key properties of methyl 2-acetyl-4-hydroxy-5-methoxybenzoate?
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate has a molecular weight of 224.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyl-4-hydroxy-5-methoxybenzoate is sourced from PubChem (CID 58345568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).