methyl 3-acetyl-4-methoxybenzoate

C11H12O4 — CID 10798398

IUPACmethyl 3-acetyl-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(C(C)=O)c1
InChIInChI=1S/C11H12O4/c1-7(12)9-6-8(11(13)15-3)4-5-10(9)14-2/h4-6H,1-3H3
InChIKeyPPOCOUMSZRPEKV-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.68
Rot. Bonds3

About methyl 3-acetyl-4-methoxybenzoate

methyl 3-acetyl-4-methoxybenzoate (PubChem CID 10798398) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 3-acetyl-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-acetyl-4-methoxybenzoate
PubChem CID10798398
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 3-acetyl-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(C(C)=O)c1
InChIInChI=1S/C11H12O4/c1-7(12)9-6-8(11(13)15-3)4-5-10(9)14-2/h4-6H,1-3H3
InChIKeyPPOCOUMSZRPEKV-UHFFFAOYSA-N
XLogP1.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-acetyl-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
methyl 3-[(E)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate
CID 51063639
methyl 3-acetyl-4-phenylmethoxybenzoate
CID 22101033
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
CID 67314174

Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyl-4-methoxybenzoate?
The IUPAC name of methyl 3-acetyl-4-methoxybenzoate (CID 10798398) is methyl 3-acetyl-4-methoxybenzoate.
What is the SMILES notation for methyl 3-acetyl-4-methoxybenzoate?
The canonical SMILES for methyl 3-acetyl-4-methoxybenzoate is COC(=O)c1ccc(OC)c(C(C)=O)c1.
What is the InChIKey of methyl 3-acetyl-4-methoxybenzoate?
The InChIKey is PPOCOUMSZRPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-7(12)9-6-8(11(13)15-3)4-5-10(9)14-2/h4-6H,1-3H3.
What are the key properties of methyl 3-acetyl-4-methoxybenzoate?
methyl 3-acetyl-4-methoxybenzoate has a molecular weight of 208.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyl-4-methoxybenzoate is sourced from PubChem (CID 10798398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).