methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate

C14H20O4 — CID 15428438

IUPACmethyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
SMILESCOC(=O)CCCc1ccc(OC)c(OC)c1C
InChIInChI=1S/C14H20O4/c1-10-11(6-5-7-13(15)17-3)8-9-12(16-2)14(10)18-4/h8-9H,5-7H2,1-4H3
InChIKeyYLPATKJBUGYZET-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.51
Rot. Bonds6

About methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate

methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate (PubChem CID 15428438) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
PubChem CID15428438
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
SMILESCOC(=O)CCCc1ccc(OC)c(OC)c1C
InChIInChI=1S/C14H20O4/c1-10-11(6-5-7-13(15)17-3)8-9-12(16-2)14(10)18-4/h8-9H,5-7H2,1-4H3
InChIKeyYLPATKJBUGYZET-UHFFFAOYSA-N
XLogP2.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 4-(2-fluoro-3,4-dimethoxyphenyl)butanoate
CID 58147667
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
ethyl 5-(2,3,4-trimethoxyphenyl)pentanoate
CID 144536169
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
CID 142979716
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
CID 125042081
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate?
The IUPAC name of methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate (CID 15428438) is methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate.
What is the SMILES notation for methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate?
The canonical SMILES for methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate is COC(=O)CCCc1ccc(OC)c(OC)c1C.
What is the InChIKey of methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate?
The InChIKey is YLPATKJBUGYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10-11(6-5-7-13(15)17-3)8-9-12(16-2)14(10)18-4/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate?
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate has a molecular weight of 252.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate is sourced from PubChem (CID 15428438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).