1-but-3-enoxy-2-phenylbenzene

C16H16O — CID 154014031

IUPAC1-but-3-enoxy-2-phenylbenzene
SMILESC=CCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h2,4-12H,1,3,13H2
InChIKeyPELPJNCOGMTQBV-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.31
Rot. Bonds5

About 1-but-3-enoxy-2-phenylbenzene

1-but-3-enoxy-2-phenylbenzene (PubChem CID 154014031) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-but-3-enoxy-2-phenylbenzene.

Molecular Properties

Compound Name1-but-3-enoxy-2-phenylbenzene
PubChem CID154014031
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-but-3-enoxy-2-phenylbenzene
SMILESC=CCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h2,4-12H,1,3,13H2
InChIKeyPELPJNCOGMTQBV-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxy-2-phenylbenzene?
The IUPAC name of 1-but-3-enoxy-2-phenylbenzene (CID 154014031) is 1-but-3-enoxy-2-phenylbenzene.
What is the SMILES notation for 1-but-3-enoxy-2-phenylbenzene?
The canonical SMILES for 1-but-3-enoxy-2-phenylbenzene is C=CCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 1-but-3-enoxy-2-phenylbenzene?
The InChIKey is PELPJNCOGMTQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h2,4-12H,1,3,13H2.
What are the key properties of 1-but-3-enoxy-2-phenylbenzene?
1-but-3-enoxy-2-phenylbenzene has a molecular weight of 224.30 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enoxy-2-phenylbenzene is sourced from PubChem (CID 154014031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).