1-ethyl-4-(2-methoxyethenyl)benzene

C11H14O — CID 131871300

IUPAC1-ethyl-4-(2-methoxyethenyl)benzene
SMILESCCc1ccc(C=COC)cc1
InChIInChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9-12-2/h4-9H,3H2,1-2H3
InChIKeyYJBXNRXOZKGTME-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.87
Rot. Bonds3

About 1-ethyl-4-(2-methoxyethenyl)benzene

1-ethyl-4-(2-methoxyethenyl)benzene (PubChem CID 131871300) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-ethyl-4-(2-methoxyethenyl)benzene.

Molecular Properties

Compound Name1-ethyl-4-(2-methoxyethenyl)benzene
PubChem CID131871300
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name1-ethyl-4-(2-methoxyethenyl)benzene
SMILESCCc1ccc(C=COC)cc1
InChIInChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9-12-2/h4-9H,3H2,1-2H3
InChIKeyYJBXNRXOZKGTME-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methoxyethenyl)benzene?
The IUPAC name of 1-ethyl-4-(2-methoxyethenyl)benzene (CID 131871300) is 1-ethyl-4-(2-methoxyethenyl)benzene.
What is the SMILES notation for 1-ethyl-4-(2-methoxyethenyl)benzene?
The canonical SMILES for 1-ethyl-4-(2-methoxyethenyl)benzene is CCc1ccc(C=COC)cc1.
What is the InChIKey of 1-ethyl-4-(2-methoxyethenyl)benzene?
The InChIKey is YJBXNRXOZKGTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-3-10-4-6-11(7-5-10)8-9-12-2/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-methoxyethenyl)benzene?
1-ethyl-4-(2-methoxyethenyl)benzene has a molecular weight of 162.23 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methoxyethenyl)benzene is sourced from PubChem (CID 131871300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).