1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate

C13H18O4 — CID 71987996

IUPAC1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate
SMILESCOCC(C)OC(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18O4/c1-9-7-11(16-4)5-6-12(9)13(14)17-10(2)8-15-3/h5-7,10H,8H2,1-4H3
InChIKeyKFBUQMOTKWPCJZ-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.20
Rot. Bonds5

About 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate

1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate (PubChem CID 71987996) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate
PubChem CID71987996
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate
SMILESCOCC(C)OC(=O)c1ccc(OC)cc1C
InChIInChI=1S/C13H18O4/c1-9-7-11(16-4)5-6-12(9)13(14)17-10(2)8-15-3/h5-7,10H,8H2,1-4H3
InChIKeyKFBUQMOTKWPCJZ-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate 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

1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 65313814
1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-one
CID 65313346
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
2-amino-1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-one
CID 116552805
2-(aminomethyl)-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116573984
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
2-amino-1-(4-methoxy-2-methylphenyl)-4-methylpentan-1-one
CID 116553575
4-methoxy-2-methyl-1-[1,2,2-tris(4-methoxy-2-methylphenyl)ethenyl]benzene
CID 102177256
2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
1-methoxypropan-2-yl 4-tert-butylbenzoate
CID 90150933
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 105084772

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate?
The IUPAC name of 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate (CID 71987996) is 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate.
What is the SMILES notation for 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate?
The canonical SMILES for 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate is COCC(C)OC(=O)c1ccc(OC)cc1C.
What is the InChIKey of 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate?
The InChIKey is KFBUQMOTKWPCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9-7-11(16-4)5-6-12(9)13(14)17-10(2)8-15-3/h5-7,10H,8H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate?
1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate has a molecular weight of 238.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 4-methoxy-2-methylbenzoate is sourced from PubChem (CID 71987996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).