methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate

C15H20O4 — CID 116930243

IUPACmethyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2cc(C)cc(C)c2OC)COC1
InChIInChI=1S/C15H20O4/c1-10-5-11(2)13(17-3)12(6-10)7-15(8-19-9-15)14(16)18-4/h5-6H,7-9H2,1-4H3
InChIKeyRXRMTEWQNGLFNU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.04
Rot. Bonds4

About methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate

methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate (PubChem CID 116930243) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate
PubChem CID116930243
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate
SMILESCOC(=O)C1(Cc2cc(C)cc(C)c2OC)COC1
InChIInChI=1S/C15H20O4/c1-10-5-11(2)13(17-3)12(6-10)7-15(8-19-9-15)14(16)18-4/h5-6H,7-9H2,1-4H3
InChIKeyRXRMTEWQNGLFNU-UHFFFAOYSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2,4,6-trimethylphenyl)methyl]oxetane-3-carboxylate
CID 116930223
methyl 1-[(2,4,6-trimethylphenyl)methyl]cyclopropane-1-carboxylate
CID 116929803
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182693
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181583
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate?
The IUPAC name of methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate (CID 116930243) is methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate.
What is the SMILES notation for methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate?
The canonical SMILES for methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate is COC(=O)C1(Cc2cc(C)cc(C)c2OC)COC1.
What is the InChIKey of methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate?
The InChIKey is RXRMTEWQNGLFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10-5-11(2)13(17-3)12(6-10)7-15(8-19-9-15)14(16)18-4/h5-6H,7-9H2,1-4H3.
What are the key properties of methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate?
methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-3,5-dimethylphenyl)methyl]oxetane-3-carboxylate is sourced from PubChem (CID 116930243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).