methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate

C16H24O3 — CID 116931308

IUPACmethyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
SMILESCCC(Cc1cc(C)c(OC)c(C)c1C)C(=O)OC
InChIInChI=1S/C16H24O3/c1-7-13(16(17)19-6)9-14-8-10(2)15(18-5)12(4)11(14)3/h8,13H,7,9H2,1-6H3
InChIKeyGBHHTHAXWCKXMB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.36
Rot. Bonds5

About methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate

methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate (PubChem CID 116931308) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
PubChem CID116931308
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Namemethyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
SMILESCCC(Cc1cc(C)c(OC)c(C)c1C)C(=O)OC
InChIInChI=1S/C16H24O3/c1-7-13(16(17)19-6)9-14-8-10(2)15(18-5)12(4)11(14)3/h8,13H,7,9H2,1-6H3
InChIKeyGBHHTHAXWCKXMB-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,3,5,6-tetramethylphenyl)methyl]butanoate
CID 116931289
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanenitrile
CID 116931539
2-(hydroxymethyl)-N-(4-methoxy-2,3,5-trimethylphenyl)butanamide
CID 115186351
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
methyl 2-[(4-methoxy-3-methylphenyl)methyl]butanoate
CID 116931262
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
CID 112514975
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate?
The IUPAC name of methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate (CID 116931308) is methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate.
What is the SMILES notation for methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate?
The canonical SMILES for methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate is CCC(Cc1cc(C)c(OC)c(C)c1C)C(=O)OC.
What is the InChIKey of methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate?
The InChIKey is GBHHTHAXWCKXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-7-13(16(17)19-6)9-14-8-10(2)15(18-5)12(4)11(14)3/h8,13H,7,9H2,1-6H3.
What are the key properties of methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate?
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate has a molecular weight of 264.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate is sourced from PubChem (CID 116931308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).