methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate

C15H22O4 — CID 116964458

IUPACmethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
SMILESCCC(C(=O)OC)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C15H22O4/c1-7-11(15(16)19-6)12-8-13(17-4)9(2)10(3)14(12)18-5/h8,11H,7H2,1-6H3
InChIKeyPLXWRLICPHRDEQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate

methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate (PubChem CID 116964458) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
PubChem CID116964458
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
SMILESCCC(C(=O)OC)c1cc(OC)c(C)c(C)c1OC
InChIInChI=1S/C15H22O4/c1-7-11(15(16)19-6)12-8-13(17-4)9(2)10(3)14(12)18-5/h8,11H,7H2,1-6H3
InChIKeyPLXWRLICPHRDEQ-UHFFFAOYSA-N
XLogP2.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate
CID 103434208
methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
CID 116848546
methyl 2-(2,5-difluoro-4-methoxyphenyl)butanoate
CID 116964440
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
(2R)-2-(3,4,5-trimethoxyphenyl)butanoic acid
CID 40634420
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate?
The IUPAC name of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate (CID 116964458) is methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate.
What is the SMILES notation for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate?
The canonical SMILES for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate is CCC(C(=O)OC)c1cc(OC)c(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate?
The InChIKey is PLXWRLICPHRDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-7-11(15(16)19-6)12-8-13(17-4)9(2)10(3)14(12)18-5/h8,11H,7H2,1-6H3.
What are the key properties of methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate?
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate has a molecular weight of 266.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate is sourced from PubChem (CID 116964458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).