methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate

C15H20O3 — CID 116930223

IUPACmethyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2c(C)cc(C)cc2C)COC1
InChIInChI=1S/C15H20O3/c1-10-5-11(2)13(12(3)6-10)7-15(8-18-9-15)14(16)17-4/h5-6H,7-9H2,1-4H3
InChIKeyFGCSZHVNKAJNOW-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate

methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate (PubChem CID 116930223) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
PubChem CID116930223
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2c(C)cc(C)cc2C)COC1
InChIInChI=1S/C15H20O3/c1-10-5-11(2)13(12(3)6-10)7-15(8-18-9-15)14(16)17-4/h5-6H,7-9H2,1-4H3
InChIKeyFGCSZHVNKAJNOW-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate 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

Methyl Dehydroabietate
CID 14697
Methyl abieta-8,11,13-trien-18-oate
CID 247581
4-(2,5-Dimethylphenyl)butanoic acid
CID 15071
4-(3,4-Dimethylphenyl)butyric acid
CID 231992
3,3'-(2,5-Dimethylbenzene-1,4-diyl)dipropanoic acid
CID 658500
methyl 3-[(1S,2S)-1-methyl-6-propan-2-yl-2-prop-1-en-2-yl-3,4-dihydro-2H-naphthalen-1-yl]propanoate
CID 25243666
4-(2,4-Dimethylphenyl)butanoic acid
CID 294649
2-Benzyl-2-methyl-malonic acid diethyl ester
CID 3329123
3-Methyl-3-(3,4,5-trimethylphenyl)butanoic acid
CID 227377
3-(3,4-Dimethylphenyl)-3-methylbutanoic acid
CID 589934
Methyl 3-(4-tert-butylphenyl)propanoate
CID 22119033
Ethyl 4-(4-tert-butylphenyl)butanoate
CID 15365030

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate (CID 116930223) is methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate is COC(=O)C1(Cc2c(C)cc(C)cc2C)COC1.
What is the InChIKey of methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate?
The InChIKey is FGCSZHVNKAJNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-5-11(2)13(12(3)6-10)7-15(8-18-9-15)14(16)17-4/h5-6H,7-9H2,1-4H3.
What are the key properties of methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate?
methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate is sourced from PubChem (CID 116930223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).