[phenyl(prop-2-enoxy)methyl]benzene

C16H16O — CID 11746275

IUPAC[phenyl(prop-2-enoxy)methyl]benzene
SMILESC=CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,16H,1,13H2
InChIKeyBZINIRSAQYPGFF-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.98
Rot. Bonds5

About [phenyl(prop-2-enoxy)methyl]benzene

[phenyl(prop-2-enoxy)methyl]benzene (PubChem CID 11746275) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is [phenyl(prop-2-enoxy)methyl]benzene.

Molecular Properties

Compound Name[phenyl(prop-2-enoxy)methyl]benzene
PubChem CID11746275
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name[phenyl(prop-2-enoxy)methyl]benzene
SMILESC=CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,16H,1,13H2
InChIKeyBZINIRSAQYPGFF-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [phenyl(prop-2-enoxy)methyl]benzene?
The IUPAC name of [phenyl(prop-2-enoxy)methyl]benzene (CID 11746275) is [phenyl(prop-2-enoxy)methyl]benzene.
What is the SMILES notation for [phenyl(prop-2-enoxy)methyl]benzene?
The canonical SMILES for [phenyl(prop-2-enoxy)methyl]benzene is C=CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(prop-2-enoxy)methyl]benzene?
The InChIKey is BZINIRSAQYPGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-13-17-16(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,16H,1,13H2.
What are the key properties of [phenyl(prop-2-enoxy)methyl]benzene?
[phenyl(prop-2-enoxy)methyl]benzene has a molecular weight of 224.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(prop-2-enoxy)methyl]benzene is sourced from PubChem (CID 11746275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).