methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate

C14H20O3 — CID 103434208

IUPACmethyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate
SMILESCCC(C(=O)OC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H20O3/c1-6-11(14(15)17-5)12-8-7-9(2)10(3)13(12)16-4/h7-8,11H,6H2,1-5H3
InChIKeyYXEHTEKSLDQWGQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.98
Rot. Bonds4

About methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate

methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate (PubChem CID 103434208) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate
PubChem CID103434208
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate
SMILESCCC(C(=O)OC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C14H20O3/c1-6-11(14(15)17-5)12-8-7-9(2)10(3)13(12)16-4/h7-8,11H,6H2,1-5H3
InChIKeyYXEHTEKSLDQWGQ-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
CID 116964458
2-(2-methoxy-3,4-dimethylphenyl)hexanoic acid
CID 103434197
methyl 2-(2,4-dimethylphenyl)butanoate
CID 62802002
2-(ethylamino)-1-(2-methoxy-3,4-dimethylphenyl)ethanol
CID 103434593
ethyl 2-(3-bromo-2,4-dimethoxyphenyl)butanoate
CID 103523779
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
methyl (2S,4R)-2-(2,4-dimethoxy-3-methylphenyl)-4-methylhex-5-ynoate
CID 11162090
methyl 2-(2,3-dimethoxy-4-methylphenyl)-2-hydroxyacetate
CID 117353034
1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
1-(2-methoxy-3,4-dimethylphenyl)-2-methylsulfanylethanol
CID 103433114
1-(2-ethylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435165

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate?
The IUPAC name of methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate (CID 103434208) is methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate.
What is the SMILES notation for methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate?
The canonical SMILES for methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate is CCC(C(=O)OC)c1ccc(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate?
The InChIKey is YXEHTEKSLDQWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-6-11(14(15)17-5)12-8-7-9(2)10(3)13(12)16-4/h7-8,11H,6H2,1-5H3.
What are the key properties of methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate?
methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate has a molecular weight of 236.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-3,4-dimethylphenyl)butanoate is sourced from PubChem (CID 103434208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).