1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene

C19H17OP — CID 59707583

IUPAC1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene
SMILESCP(=O)(/C=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17OP/c1-21(20,18-11-3-2-4-12-18)15-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-15H,1H3/b15-14+
InChIKeyUXAVYDIKYVWFEL-CCEZHUSRSA-N
MW292.32 g/mol
LogP5.13
Rot. Bonds3

About 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene

1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene (PubChem CID 59707583) has the molecular formula C19H17OP and a molecular weight of 292.32 g/mol. Its IUPAC name is 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene
PubChem CID59707583
Molecular FormulaC19H17OP
Molecular Weight292.32 g/mol
Exact Mass292.10
IUPAC Name1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene
SMILESCP(=O)(/C=C/c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H17OP/c1-21(20,18-11-3-2-4-12-18)15-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-15H,1H3/b15-14+
InChIKeyUXAVYDIKYVWFEL-CCEZHUSRSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.32
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene?
The IUPAC name of 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene (CID 59707583) is 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene.
What is the SMILES notation for 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene?
The canonical SMILES for 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene is CP(=O)(/C=C/c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene?
The InChIKey is UXAVYDIKYVWFEL-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H17OP/c1-21(20,18-11-3-2-4-12-18)15-14-17-10-7-9-16-8-5-6-13-19(16)17/h2-15H,1H3/b15-14+.
What are the key properties of 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene?
1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene has a molecular weight of 292.32 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[methyl(phenyl)phosphoryl]ethenyl]naphthalene is sourced from PubChem (CID 59707583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).