1-(diphenylphosphorylmethyl)-4-methylnaphthalene

C24H21OP — CID 135296211

IUPAC1-(diphenylphosphorylmethyl)-4-methylnaphthalene
SMILESCc1ccc(CP(=O)(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H21OP/c1-19-16-17-20(24-15-9-8-14-23(19)24)18-26(25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17H,18H2,1H3
InChIKeyRDRHPHXXUBXJPH-UHFFFAOYSA-N
MW356.41 g/mol
LogP5.66
Rot. Bonds4

About 1-(diphenylphosphorylmethyl)-4-methylnaphthalene

1-(diphenylphosphorylmethyl)-4-methylnaphthalene (PubChem CID 135296211) has the molecular formula C24H21OP and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)-4-methylnaphthalene.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)-4-methylnaphthalene
PubChem CID135296211
Molecular FormulaC24H21OP
Molecular Weight356.41 g/mol
Exact Mass356.13
IUPAC Name1-(diphenylphosphorylmethyl)-4-methylnaphthalene
SMILESCc1ccc(CP(=O)(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C24H21OP/c1-19-16-17-20(24-15-9-8-14-23(19)24)18-26(25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17H,18H2,1H3
InChIKeyRDRHPHXXUBXJPH-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.41
LogP ≤ 55.66
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-(diphenylphosphorylmethyl)-4-methylnaphthalene?
The IUPAC name of 1-(diphenylphosphorylmethyl)-4-methylnaphthalene (CID 135296211) is 1-(diphenylphosphorylmethyl)-4-methylnaphthalene.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)-4-methylnaphthalene?
The canonical SMILES for 1-(diphenylphosphorylmethyl)-4-methylnaphthalene is Cc1ccc(CP(=O)(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-(diphenylphosphorylmethyl)-4-methylnaphthalene?
The InChIKey is RDRHPHXXUBXJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21OP/c1-19-16-17-20(24-15-9-8-14-23(19)24)18-26(25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-17H,18H2,1H3.
What are the key properties of 1-(diphenylphosphorylmethyl)-4-methylnaphthalene?
1-(diphenylphosphorylmethyl)-4-methylnaphthalene has a molecular weight of 356.41 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)-4-methylnaphthalene is sourced from PubChem (CID 135296211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).