methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate

C15H20O4 — CID 62495797

IUPACmethyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate
SMILESCCCOc1cccc(C(=O)CC(C)C(=O)OC)c1
InChIInChI=1S/C15H20O4/c1-4-8-19-13-7-5-6-12(10-13)14(16)9-11(2)15(17)18-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyOKQOUXPRYYBQII-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.86
Rot. Bonds7

About methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate

methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate (PubChem CID 62495797) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate
PubChem CID62495797
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate
SMILESCCCOc1cccc(C(=O)CC(C)C(=O)OC)c1
InChIInChI=1S/C15H20O4/c1-4-8-19-13-7-5-6-12(10-13)14(16)9-11(2)15(17)18-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyOKQOUXPRYYBQII-UHFFFAOYSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate 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

2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone
CID 115785301
2-methyl-1-(3-propoxyphenyl)butan-1-one
CID 115788060
3-propoxybenzamide
CID 22311435
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
propan-2-yl 3-propoxybenzoate
CID 60979538
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
methyl 3-octoxybenzoate
CID 72706029
methyl 3-(3-octadecoxyphenyl)-3-oxopropanoate
CID 23036064

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate?
The IUPAC name of methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate (CID 62495797) is methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate.
What is the SMILES notation for methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate?
The canonical SMILES for methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate is CCCOc1cccc(C(=O)CC(C)C(=O)OC)c1.
What is the InChIKey of methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate?
The InChIKey is OKQOUXPRYYBQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-8-19-13-7-5-6-12(10-13)14(16)9-11(2)15(17)18-3/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate?
methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate has a molecular weight of 264.32 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-4-(3-propoxyphenyl)butanoate is sourced from PubChem (CID 62495797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).