2-(4-ethoxy-3-methylphenyl)-3-methyloxirane

C12H16O2 — CID 116863457

IUPAC2-(4-ethoxy-3-methylphenyl)-3-methyloxirane
SMILESCCOc1ccc(C2OC2C)cc1C
InChIInChI=1S/C12H16O2/c1-4-13-11-6-5-10(7-8(11)2)12-9(3)14-12/h5-7,9,12H,4H2,1-3H3
InChIKeyXOBXGNITFVHHNH-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane

2-(4-ethoxy-3-methylphenyl)-3-methyloxirane (PubChem CID 116863457) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(4-ethoxy-3-methylphenyl)-3-methyloxirane
PubChem CID116863457
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(4-ethoxy-3-methylphenyl)-3-methyloxirane
SMILESCCOc1ccc(C2OC2C)cc1C
InChIInChI=1S/C12H16O2/c1-4-13-11-6-5-10(7-8(11)2)12-9(3)14-12/h5-7,9,12H,4H2,1-3H3
InChIKeyXOBXGNITFVHHNH-UHFFFAOYSA-N
XLogP2.85
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-ethoxyphenyl)-3-methyloxirane
CID 116863459
2-(4-ethoxy-3-methylphenyl)-4-methylazetidine
CID 116821986
2-(4-ethoxy-3-methylphenyl)-3-methylpiperazine
CID 116829237
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
sodium 4-ethoxy-3-methylbenzenesulfonate
CID 112705045
2-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-3-methyloxirane
CID 83940889
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
(2R)-2-[3-[(4-ethoxyphenyl)methyl]-4-methylphenyl]-6-methyloxane-3,4,5-triol
CID 175600530
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
(4-ethoxy-3-methylphenyl)-(oxiran-2-yl)methanone
CID 116826439
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane?
The IUPAC name of 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane (CID 116863457) is 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane.
What is the SMILES notation for 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane?
The canonical SMILES for 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane is CCOc1ccc(C2OC2C)cc1C.
What is the InChIKey of 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane?
The InChIKey is XOBXGNITFVHHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-13-11-6-5-10(7-8(11)2)12-9(3)14-12/h5-7,9,12H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane?
2-(4-ethoxy-3-methylphenyl)-3-methyloxirane has a molecular weight of 192.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methylphenyl)-3-methyloxirane is sourced from PubChem (CID 116863457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).