methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate

C15H20O4 — CID 103434268

IUPACmethyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1ccc(C)c(C)c1OC
InChIInChI=1S/C15H20O4/c1-10-5-6-12(15(19-4)11(10)2)9-13(16)7-8-14(17)18-3/h5-6H,7-9H2,1-4H3
InChIKeyZWDBDMCCCDMVTR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.38
Rot. Bonds6

About methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate

methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate (PubChem CID 103434268) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate
PubChem CID103434268
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1ccc(C)c(C)c1OC
InChIInChI=1S/C15H20O4/c1-10-5-6-12(15(19-4)11(10)2)9-13(16)7-8-14(17)18-3/h5-6H,7-9H2,1-4H3
InChIKeyZWDBDMCCCDMVTR-UHFFFAOYSA-N
XLogP2.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate
CID 152941121
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
CID 103434291
methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
CID 116811030
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
4-O-[2-(4-methoxy-4-oxobutanoyl)oxy-3,5,6-trimethyl-4-(2,3,6-trimethylphenyl)sulfanylphenyl] 1-O-methyl butanedioate
CID 173394143
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
1-(3-hydroxy-2-methoxy-4-methylphenyl)propan-2-one
CID 117284457
methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
CID 125042081
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
4-O-(2,3-dimethylphenyl) 1-O-methyl butanedioate
CID 94263255
ethane;methyl 2-(2-chloro-3,4-dimethylphenyl)acetate
CID 144916054

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate?
The IUPAC name of methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate (CID 103434268) is methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate.
What is the SMILES notation for methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate?
The canonical SMILES for methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate is COC(=O)CCC(=O)Cc1ccc(C)c(C)c1OC.
What is the InChIKey of methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate?
The InChIKey is ZWDBDMCCCDMVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-5-6-12(15(19-4)11(10)2)9-13(16)7-8-14(17)18-3/h5-6H,7-9H2,1-4H3.
What are the key properties of methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate?
methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate has a molecular weight of 264.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-3,4-dimethylphenyl)-4-oxopentanoate is sourced from PubChem (CID 103434268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).