methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate

C16H24O3 — CID 112509425

IUPACmethyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate
SMILESCOC(=O)CC(c1cc(C)c(C)cc1OC)C(C)C
InChIInChI=1S/C16H24O3/c1-10(2)13(9-16(17)19-6)14-7-11(3)12(4)8-15(14)18-5/h7-8,10,13H,9H2,1-6H3
InChIKeyWLQZGIAZHBLSMC-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.61
Rot. Bonds5

About methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate

methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate (PubChem CID 112509425) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate
PubChem CID112509425
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Namemethyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate
SMILESCOC(=O)CC(c1cc(C)c(C)cc1OC)C(C)C
InChIInChI=1S/C16H24O3/c1-10(2)13(9-16(17)19-6)14-7-11(3)12(4)8-15(14)18-5/h7-8,10,13H,9H2,1-6H3
InChIKeyWLQZGIAZHBLSMC-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
CID 82306007
methyl 3-(2,5-dimethoxy-4-methylphenyl)-3-(methylamino)propanoate
CID 116955433
methyl 3-bromo-4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82352103
methyl 4-amino-5-hydroxy-5-(2-methoxy-4,5-dimethylphenyl)pentanoate
CID 82350031
3-(2,4-dimethoxyphenyl)-N,4-dimethylpentanamide
CID 112509523
3-(2,4-dimethoxyphenyl)-4-methylpentanoic acid
CID 19348600
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
methyl (3R)-3-amino-3-(2,4-dimethoxyphenyl)propanoate;hydrochloride
CID 171246679
methyl (3S)-3-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 171243535
2-[amino-(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116945187
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate?
The IUPAC name of methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate (CID 112509425) is methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate.
What is the SMILES notation for methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate?
The canonical SMILES for methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate is COC(=O)CC(c1cc(C)c(C)cc1OC)C(C)C.
What is the InChIKey of methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate?
The InChIKey is WLQZGIAZHBLSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-10(2)13(9-16(17)19-6)14-7-11(3)12(4)8-15(14)18-5/h7-8,10,13H,9H2,1-6H3.
What are the key properties of methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate?
methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate has a molecular weight of 264.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate is sourced from PubChem (CID 112509425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).