methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate

C14H18O5 — CID 116811030

IUPACmethyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1c(OC)cccc1OC
InChIInChI=1S/C14H18O5/c1-17-12-5-4-6-13(18-2)11(12)9-10(15)7-8-14(16)19-3/h4-6H,7-9H2,1-3H3
InChIKeyRRHYBODXAPDECC-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.77
Rot. Bonds7

About methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate

methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate (PubChem CID 116811030) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
PubChem CID116811030
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1c(OC)cccc1OC
InChIInChI=1S/C14H18O5/c1-17-12-5-4-6-13(18-2)11(12)9-10(15)7-8-14(16)19-3/h4-6H,7-9H2,1-3H3
InChIKeyRRHYBODXAPDECC-UHFFFAOYSA-N
XLogP1.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate 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

methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
bis(2,6-dimethoxyphenyl) butanedioate
CID 91737376
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
methyl 6-(2,6-dichlorophenyl)-4-oxohexanoate
CID 107902610
methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate
CID 146922044
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
4-O-(2,3-dimethylphenyl) 1-O-methyl butanedioate
CID 94263255
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate
CID 152941121
2-(2,6-dimethoxyphenyl)-N-[2-(methylamino)ethyl]acetamide
CID 119502745
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate?
The IUPAC name of methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate (CID 116811030) is methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate.
What is the SMILES notation for methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate?
The canonical SMILES for methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate is COC(=O)CCC(=O)Cc1c(OC)cccc1OC.
What is the InChIKey of methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate?
The InChIKey is RRHYBODXAPDECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-12-5-4-6-13(18-2)11(12)9-10(15)7-8-14(16)19-3/h4-6H,7-9H2,1-3H3.
What are the key properties of methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate?
methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate has a molecular weight of 266.29 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,6-dimethoxyphenyl)-4-oxopentanoate is sourced from PubChem (CID 116811030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).