methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate

C15H20O4 — CID 79298856

IUPACmethyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate
SMILESCOC(=O)C1(C(C)C)OC1(C)c1cccc(OC)c1
InChIInChI=1S/C15H20O4/c1-10(2)15(13(16)18-5)14(3,19-15)11-7-6-8-12(9-11)17-4/h6-10H,1-5H3
InChIKeyIWWGBFNFFUNPIX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.51
Rot. Bonds4

About methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate

methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate (PubChem CID 79298856) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate
PubChem CID79298856
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate
SMILESCOC(=O)C1(C(C)C)OC1(C)c1cccc(OC)c1
InChIInChI=1S/C15H20O4/c1-10(2)15(13(16)18-5)14(3,19-15)11-7-6-8-12(9-11)17-4/h6-10H,1-5H3
InChIKeyIWWGBFNFFUNPIX-UHFFFAOYSA-N
XLogP2.51
TPSA48.06 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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl 3-methyl-3-(4-phenylmethoxyphenyl)-2-propan-2-yloxirane-2-carboxylate
CID 113247475
methyl 3-phenyl-2,3-di(propan-2-yl)oxirane-2-carboxylate
CID 79299180
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
1-(3-methoxyphenyl)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 65016675
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
ethyl 2-(3-methoxyphenyl)oxirane-2-carboxylate
CID 174756675
2-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]propanoic acid
CID 119225858
methyl 4-[3-(trideuteriomethoxy)phenyl]bicyclo[2.2.2]octane-1-carboxylate
CID 168951354
ethane;(3-methoxyphenyl) methyl carbonate
CID 91439212
1-[4-(3-methoxyphenoxy)phenyl]ethanol
CID 43506404
1-(3-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353654

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate?
The IUPAC name of methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate (CID 79298856) is methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate.
What is the SMILES notation for methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate?
The canonical SMILES for methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate is COC(=O)C1(C(C)C)OC1(C)c1cccc(OC)c1.
What is the InChIKey of methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate?
The InChIKey is IWWGBFNFFUNPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(2)15(13(16)18-5)14(3,19-15)11-7-6-8-12(9-11)17-4/h6-10H,1-5H3.
What are the key properties of methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate?
methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate is sourced from PubChem (CID 79298856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).