2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane

C19H30O2 — CID 83934727

IUPAC2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane
SMILESCCC1OC1CCc1ccc(OCC(C)C)c(C(C)C)c1
InChIInChI=1S/C19H30O2/c1-6-17-19(21-17)10-8-15-7-9-18(20-12-13(2)3)16(11-15)14(4)5/h7,9,11,13-14,17,19H,6,8,10,12H2,1-5H3
InChIKeyKXGHPEUGTWMXTN-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.95
Rot. Bonds8

About 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane

2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane (PubChem CID 83934727) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane
PubChem CID83934727
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane
SMILESCCC1OC1CCc1ccc(OCC(C)C)c(C(C)C)c1
InChIInChI=1S/C19H30O2/c1-6-17-19(21-17)10-8-15-7-9-18(20-12-13(2)3)16(11-15)14(4)5/h7,9,11,13-14,17,19H,6,8,10,12H2,1-5H3
InChIKeyKXGHPEUGTWMXTN-UHFFFAOYSA-N
XLogP4.95
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.95
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-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-ethyloxirane
CID 83938400
4-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]butan-1-amine
CID 83934697
2-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]propane-1,3-diol
CID 83934685
5-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentan-2-one
CID 83934635
2-[2-(3,4-difluorophenyl)ethyl]-3-ethyloxirane
CID 83936226
4-(2-methylpropoxy)-3-propan-2-ylbenzonitrile
CID 82263972
2-[2-(5-chloro-2-ethoxyphenyl)butyl]-3-ethyloxirane
CID 83933316
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
CID 83958259
1-(4-ethoxy-3-propan-2-ylphenyl)hexane-3,4-diol
CID 83935305
2-methyl-3-[2-[2-(2-methylpropoxy)phenyl]ethyl]oxirane
CID 83932492
6-[[4-(2-methylpropoxy)-3-propan-2-ylphenyl]methyl]pyridine-3-carboxylic acid
CID 167687017

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane?
The IUPAC name of 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane (CID 83934727) is 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane.
What is the SMILES notation for 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane?
The canonical SMILES for 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane is CCC1OC1CCc1ccc(OCC(C)C)c(C(C)C)c1.
What is the InChIKey of 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane?
The InChIKey is KXGHPEUGTWMXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-6-17-19(21-17)10-8-15-7-9-18(20-12-13(2)3)16(11-15)14(4)5/h7,9,11,13-14,17,19H,6,8,10,12H2,1-5H3.
What are the key properties of 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane?
2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane has a molecular weight of 290.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]ethyl]oxirane is sourced from PubChem (CID 83934727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).