1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene

C20H19O2P — CID 162415122

IUPAC1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
SMILESCCOP(=O)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19O2P/c1-2-22-23(21,19-11-7-4-8-12-19)20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16H,2H2,1H3
InChIKeyWMVUYYFFSZCJBN-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.62
Rot. Bonds5

About 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene

1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene (PubChem CID 162415122) has the molecular formula C20H19O2P and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
PubChem CID162415122
Molecular FormulaC20H19O2P
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
SMILESCCOP(=O)(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19O2P/c1-2-22-23(21,19-11-7-4-8-12-19)20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16H,2H2,1H3
InChIKeyWMVUYYFFSZCJBN-UHFFFAOYSA-N
XLogP4.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene?
The IUPAC name of 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene (CID 162415122) is 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene.
What is the SMILES notation for 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene?
The canonical SMILES for 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene is CCOP(=O)(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene?
The InChIKey is WMVUYYFFSZCJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O2P/c1-2-22-23(21,19-11-7-4-8-12-19)20-15-13-18(14-16-20)17-9-5-3-6-10-17/h3-16H,2H2,1H3.
What are the key properties of 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene?
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene has a molecular weight of 322.34 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene is sourced from PubChem (CID 162415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).