ethoxybenzene;2-ethyloxirane

C12H18O2 — CID 160565923

IUPACethoxybenzene;2-ethyloxirane
SMILESCCC1CO1.CCOc1ccccc1
InChIInChI=1S/C8H10O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-2-4-3-5-4/h3-7H,2H2,1H3;4H,2-3H2,1H3
InChIKeyQZXMVYQMGLXFIP-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.88
Rot. Bonds3

About ethoxybenzene;2-ethyloxirane

ethoxybenzene;2-ethyloxirane (PubChem CID 160565923) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethoxybenzene;2-ethyloxirane.

Molecular Properties

Compound Nameethoxybenzene;2-ethyloxirane
PubChem CID160565923
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethoxybenzene;2-ethyloxirane
SMILESCCC1CO1.CCOc1ccccc1
InChIInChI=1S/C8H10O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-2-4-3-5-4/h3-7H,2H2,1H3;4H,2-3H2,1H3
InChIKeyQZXMVYQMGLXFIP-UHFFFAOYSA-N
XLogP2.88
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.88
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

Phenoxyethanol
CID 31236
Phenyl glycidyl ether
CID 31217
Diphenyl Ether
CID 7583
Anisole
CID 7519
Phenyl acetate
CID 31229
1-Phenoxy-2-propanol
CID 92839
1,4-Dimethoxybenzene
CID 9016
4-Ethoxyphenol
CID 12150
Cresyl glycidyl ether
CID 16606
Phenetole
CID 7674
Phenoxyethyl isobutyrate
CID 61005
o-CRESYL GLYCIDYL ETHER
CID 16640

Frequently Asked Questions

What is the IUPAC name of ethoxybenzene;2-ethyloxirane?
The IUPAC name of ethoxybenzene;2-ethyloxirane (CID 160565923) is ethoxybenzene;2-ethyloxirane.
What is the SMILES notation for ethoxybenzene;2-ethyloxirane?
The canonical SMILES for ethoxybenzene;2-ethyloxirane is CCC1CO1.CCOc1ccccc1.
What is the InChIKey of ethoxybenzene;2-ethyloxirane?
The InChIKey is QZXMVYQMGLXFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H8O/c1-2-9-8-6-4-3-5-7-8;1-2-4-3-5-4/h3-7H,2H2,1H3;4H,2-3H2,1H3.
What are the key properties of ethoxybenzene;2-ethyloxirane?
ethoxybenzene;2-ethyloxirane has a molecular weight of 194.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxybenzene;2-ethyloxirane is sourced from PubChem (CID 160565923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).