methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate

C15H20O5 — CID 152941121

IUPACmethyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1ccc(C)c(OC)c1OC
InChIInChI=1S/C15H20O5/c1-10-5-6-11(15(20-4)14(10)19-3)9-12(16)7-8-13(17)18-2/h5-6H,7-9H2,1-4H3
InChIKeyUMVAZTFRWRWCTF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.08
Rot. Bonds7

About methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate

methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate (PubChem CID 152941121) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate
PubChem CID152941121
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1ccc(C)c(OC)c1OC
InChIInChI=1S/C15H20O5/c1-10-5-6-11(15(20-4)14(10)19-3)9-12(16)7-8-13(17)18-2/h5-6H,7-9H2,1-4H3
InChIKeyUMVAZTFRWRWCTF-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate
CID 103434268
methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
CID 116811030
methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
CID 125042081
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
methyl 4-oxo-5-(4-propylphenyl)pentanoate
CID 63900279
methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
2-(2-fluoro-3-methoxy-4-methylphenyl)acetic acid
CID 171019420
1-(3-hydroxy-2-methoxy-4-methylphenyl)propan-2-one
CID 117284457
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate?
The IUPAC name of methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate (CID 152941121) is methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate.
What is the SMILES notation for methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate?
The canonical SMILES for methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate is COC(=O)CCC(=O)Cc1ccc(C)c(OC)c1OC.
What is the InChIKey of methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate?
The InChIKey is UMVAZTFRWRWCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-10-5-6-11(15(20-4)14(10)19-3)9-12(16)7-8-13(17)18-2/h5-6H,7-9H2,1-4H3.
What are the key properties of methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate?
methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate has a molecular weight of 280.32 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate is sourced from PubChem (CID 152941121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).