methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate

C15H22O3 — CID 112508803

IUPACmethyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
SMILESCOC(=O)CC(c1ccc(OC)c(C)c1)C(C)C
InChIInChI=1S/C15H22O3/c1-10(2)13(9-15(16)18-5)12-6-7-14(17-4)11(3)8-12/h6-8,10,13H,9H2,1-5H3
InChIKeyMFUHDLOXTKFTEK-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.31
Rot. Bonds5

About methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate

methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate (PubChem CID 112508803) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
PubChem CID112508803
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
SMILESCOC(=O)CC(c1ccc(OC)c(C)c1)C(C)C
InChIInChI=1S/C15H22O3/c1-10(2)13(9-15(16)18-5)12-6-7-14(17-4)11(3)8-12/h6-8,10,13H,9H2,1-5H3
InChIKeyMFUHDLOXTKFTEK-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
methyl 3-(2-methoxy-4,5-dimethylphenyl)-4-methylpentanoate
CID 112509425
3-(4-methoxy-3-methylphenyl)-4-methyl-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 110310402
4-(1-bromo-2-methylpropyl)-1-methoxy-2-methylbenzene
CID 61097588
ethyl 2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)acetate
CID 116914223
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
methyl 4-(4-methoxy-3-methylphenyl)-4-oxo-3-(propan-2-ylamino)butanoate
CID 82348268
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
3-chloro-3-(4-methoxy-3-methylphenyl)propanoic acid
CID 82366779
3-bromo-4-(4-methoxy-3-methylphenyl)pentan-2-one
CID 64719160
ethyl 2-[hydroxy-(4-methoxy-3-methylphenyl)methyl]butanoate
CID 62393496

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate?
The IUPAC name of methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate (CID 112508803) is methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate.
What is the SMILES notation for methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate?
The canonical SMILES for methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate is COC(=O)CC(c1ccc(OC)c(C)c1)C(C)C.
What is the InChIKey of methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate?
The InChIKey is MFUHDLOXTKFTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10(2)13(9-15(16)18-5)12-6-7-14(17-4)11(3)8-12/h6-8,10,13H,9H2,1-5H3.
What are the key properties of methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate?
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate has a molecular weight of 250.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate is sourced from PubChem (CID 112508803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).