2-ethenoxyethylbenzene

C10H12O — CID 12601142

IUPAC2-ethenoxyethylbenzene
SMILESC=COCCc1ccccc1
InChIInChI=1S/C10H12O/c1-2-11-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyOUELSYYMNDBLHV-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.39
Rot. Bonds4

About 2-ethenoxyethylbenzene

2-ethenoxyethylbenzene (PubChem CID 12601142) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-ethenoxyethylbenzene.

Molecular Properties

Compound Name2-ethenoxyethylbenzene
PubChem CID12601142
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-ethenoxyethylbenzene
SMILESC=COCCc1ccccc1
InChIInChI=1S/C10H12O/c1-2-11-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChIKeyOUELSYYMNDBLHV-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethylbenzene?
The IUPAC name of 2-ethenoxyethylbenzene (CID 12601142) is 2-ethenoxyethylbenzene.
What is the SMILES notation for 2-ethenoxyethylbenzene?
The canonical SMILES for 2-ethenoxyethylbenzene is C=COCCc1ccccc1.
What is the InChIKey of 2-ethenoxyethylbenzene?
The InChIKey is OUELSYYMNDBLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-11-9-8-10-6-4-3-5-7-10/h2-7H,1,8-9H2.
What are the key properties of 2-ethenoxyethylbenzene?
2-ethenoxyethylbenzene has a molecular weight of 148.20 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethylbenzene is sourced from PubChem (CID 12601142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).