methyl 3,5-dimethoxy-2-propanoylbenzoate

C13H16O5 — CID 6710788

IUPACmethyl 3,5-dimethoxy-2-propanoylbenzoate
SMILESCCC(=O)c1c(OC)cc(OC)cc1C(=O)OC
InChIInChI=1S/C13H16O5/c1-5-10(14)12-9(13(15)18-4)6-8(16-2)7-11(12)17-3/h6-7H,5H2,1-4H3
InChIKeyMOWOKJBINDKNSJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.08
Rot. Bonds5

About methyl 3,5-dimethoxy-2-propanoylbenzoate

methyl 3,5-dimethoxy-2-propanoylbenzoate (PubChem CID 6710788) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3,5-dimethoxy-2-propanoylbenzoate.

Molecular Properties

Compound Namemethyl 3,5-dimethoxy-2-propanoylbenzoate
PubChem CID6710788
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namemethyl 3,5-dimethoxy-2-propanoylbenzoate
SMILESCCC(=O)c1c(OC)cc(OC)cc1C(=O)OC
InChIInChI=1S/C13H16O5/c1-5-10(14)12-9(13(15)18-4)6-8(16-2)7-11(12)17-3/h6-7H,5H2,1-4H3
InChIKeyMOWOKJBINDKNSJ-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
methyl 3-iodo-2,5-dimethoxybenzoate
CID 134648385
methyl 2,4-dimethoxy-6-phenacylbenzoate
CID 10358262
2-methylsulfanyl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 86045322
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
3,3-dimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 98033306
methyl 5-oxo-5-(2,4,6-trimethoxyphenyl)pentanoate
CID 69082969
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
methyl 2,4-dimethoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326808
methyl 2-(2,6-dimethoxy-4-methylbenzoyl)-3-methoxy-5-sulfooxybenzoate
CID 156581974

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-dimethoxy-2-propanoylbenzoate?
The IUPAC name of methyl 3,5-dimethoxy-2-propanoylbenzoate (CID 6710788) is methyl 3,5-dimethoxy-2-propanoylbenzoate.
What is the SMILES notation for methyl 3,5-dimethoxy-2-propanoylbenzoate?
The canonical SMILES for methyl 3,5-dimethoxy-2-propanoylbenzoate is CCC(=O)c1c(OC)cc(OC)cc1C(=O)OC.
What is the InChIKey of methyl 3,5-dimethoxy-2-propanoylbenzoate?
The InChIKey is MOWOKJBINDKNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-5-10(14)12-9(13(15)18-4)6-8(16-2)7-11(12)17-3/h6-7H,5H2,1-4H3.
What are the key properties of methyl 3,5-dimethoxy-2-propanoylbenzoate?
methyl 3,5-dimethoxy-2-propanoylbenzoate has a molecular weight of 252.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-dimethoxy-2-propanoylbenzoate is sourced from PubChem (CID 6710788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).