[pentoxy(phenyl)phosphoryl]benzene

C17H21O2P — CID 2272930

IUPAC[pentoxy(phenyl)phosphoryl]benzene
SMILESCCCCCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21O2P/c1-2-3-10-15-19-20(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3
InChIKeyZTQKRYGDWXXIMR-UHFFFAOYSA-N
MW288.33 g/mol
LogP4.12
Rot. Bonds7

About [pentoxy(phenyl)phosphoryl]benzene

[pentoxy(phenyl)phosphoryl]benzene (PubChem CID 2272930) has the molecular formula C17H21O2P and a molecular weight of 288.33 g/mol. Its IUPAC name is [pentoxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[pentoxy(phenyl)phosphoryl]benzene
PubChem CID2272930
Molecular FormulaC17H21O2P
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Name[pentoxy(phenyl)phosphoryl]benzene
SMILESCCCCCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21O2P/c1-2-3-10-15-19-20(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3
InChIKeyZTQKRYGDWXXIMR-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [pentoxy(phenyl)phosphoryl]benzene?
The IUPAC name of [pentoxy(phenyl)phosphoryl]benzene (CID 2272930) is [pentoxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for [pentoxy(phenyl)phosphoryl]benzene?
The canonical SMILES for [pentoxy(phenyl)phosphoryl]benzene is CCCCCOP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [pentoxy(phenyl)phosphoryl]benzene?
The InChIKey is ZTQKRYGDWXXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O2P/c1-2-3-10-15-19-20(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3.
What are the key properties of [pentoxy(phenyl)phosphoryl]benzene?
[pentoxy(phenyl)phosphoryl]benzene has a molecular weight of 288.33 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [pentoxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 2272930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).