methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate

C14H20O3 — CID 82350341

IUPACmethyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
SMILESCOC(=O)CCCc1cc(C)c(C)cc1OC
InChIInChI=1S/C14H20O3/c1-10-8-12(6-5-7-14(15)17-4)13(16-3)9-11(10)2/h8-9H,5-7H2,1-4H3
InChIKeyVSYBYQNUJMAIJL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.81
Rot. Bonds5

About methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate

methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate (PubChem CID 82350341) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
PubChem CID82350341
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Namemethyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
SMILESCOC(=O)CCCc1cc(C)c(C)cc1OC
InChIInChI=1S/C14H20O3/c1-10-8-12(6-5-7-14(15)17-4)13(16-3)9-11(10)2/h8-9H,5-7H2,1-4H3
InChIKeyVSYBYQNUJMAIJL-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
methyl 4-(2-methoxy-4,6-dimethylphenyl)butanoate
CID 98784006
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
CID 125042081
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
1-(5-chloro-2-methoxy-4-methylphenyl)heptan-4-one
CID 83937509

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate?
The IUPAC name of methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate (CID 82350341) is methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate.
What is the SMILES notation for methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate?
The canonical SMILES for methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate is COC(=O)CCCc1cc(C)c(C)cc1OC.
What is the InChIKey of methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate?
The InChIKey is VSYBYQNUJMAIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-8-12(6-5-7-14(15)17-4)13(16-3)9-11(10)2/h8-9H,5-7H2,1-4H3.
What are the key properties of methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate?
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate has a molecular weight of 236.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate is sourced from PubChem (CID 82350341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).