2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane

C19H30O2 — CID 83932751

IUPAC2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane
SMILESCCCCCCOc1ccc(CC(C)C2OC2CC)cc1
InChIInChI=1S/C19H30O2/c1-4-6-7-8-13-20-17-11-9-16(10-12-17)14-15(3)19-18(5-2)21-19/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyPDIBHRDDNDPEOM-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.00
Rot. Bonds10

About 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane

2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane (PubChem CID 83932751) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane.

Molecular Properties

Compound Name2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane
PubChem CID83932751
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane
SMILESCCCCCCOc1ccc(CC(C)C2OC2CC)cc1
InChIInChI=1S/C19H30O2/c1-4-6-7-8-13-20-17-11-9-16(10-12-17)14-15(3)19-18(5-2)21-19/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyPDIBHRDDNDPEOM-UHFFFAOYSA-N
XLogP5.00
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-hexoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83932750
2-[1-(4-ethoxyphenyl)propan-2-yl]-3-ethyloxirane
CID 83932252
1-decoxy-4-(2-methylpropyl)benzene
CID 58996843
2-[1-(4-hexoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83932772
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
1-(2-methylpent-3-ynyl)-4-pentoxybenzene
CID 83932597
2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
CID 170892011

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane?
The IUPAC name of 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane (CID 83932751) is 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane.
What is the SMILES notation for 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane?
The canonical SMILES for 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane is CCCCCCOc1ccc(CC(C)C2OC2CC)cc1.
What is the InChIKey of 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane?
The InChIKey is PDIBHRDDNDPEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-4-6-7-8-13-20-17-11-9-16(10-12-17)14-15(3)19-18(5-2)21-19/h9-12,15,18-19H,4-8,13-14H2,1-3H3.
What are the key properties of 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane?
2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane has a molecular weight of 290.45 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-(4-hexoxyphenyl)propan-2-yl]oxirane is sourced from PubChem (CID 83932751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).