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

C14H20O4 — CID 125042081

IUPACmethyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
SMILESCOC(=O)CCCc1cc(OC)cc(C)c1OC
InChIInChI=1S/C14H20O4/c1-10-8-12(16-2)9-11(14(10)18-4)6-5-7-13(15)17-3/h8-9H,5-7H2,1-4H3
InChIKeyUJOKTNYVJSICRS-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.51
Rot. Bonds6

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

methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate (PubChem CID 125042081) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
PubChem CID125042081
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
SMILESCOC(=O)CCCc1cc(OC)cc(C)c1OC
InChIInChI=1S/C14H20O4/c1-10-8-12(16-2)9-11(14(10)18-4)6-5-7-13(15)17-3/h8-9H,5-7H2,1-4H3
InChIKeyUJOKTNYVJSICRS-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

Analyze methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate 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 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
CID 117424486
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
3-(2,5-dimethoxy-3-methylphenyl)-2-methylpropanoic acid
CID 117349142
methyl 6,6-bis[4-methoxy-3-(2-methoxy-2-oxoethyl)-5-methylphenyl]hex-5-enoate
CID 71045943
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
methyl 4-(2-fluoro-3,4-dimethoxyphenyl)butanoate
CID 58147667
ethane;methyl 4-(3,4,5-trimethylphenoxy)butanoate
CID 156857087
methyl 5-(2,3-dimethoxy-4-methylphenyl)-4-oxopentanoate
CID 152941121

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate?
The IUPAC name of methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate (CID 125042081) is methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate.
What is the SMILES notation for methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate?
The canonical SMILES for methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate is COC(=O)CCCc1cc(OC)cc(C)c1OC.
What is the InChIKey of methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate?
The InChIKey is UJOKTNYVJSICRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10-8-12(16-2)9-11(14(10)18-4)6-5-7-13(15)17-3/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate?
methyl 4-(2,5-dimethoxy-3-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-(2,5-dimethoxy-3-methylphenyl)butanoate is sourced from PubChem (CID 125042081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).