[pentyl(phenyl)phosphoryl]benzene

C17H21OP — CID 13152584

IUPAC[pentyl(phenyl)phosphoryl]benzene
SMILESCCCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-2-3-10-15-19(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3
InChIKeyNAUPXNHJMXABGJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.19
Rot. Bonds6

About [pentyl(phenyl)phosphoryl]benzene

[pentyl(phenyl)phosphoryl]benzene (PubChem CID 13152584) has the molecular formula C17H21OP and a molecular weight of 272.33 g/mol. Its IUPAC name is [pentyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[pentyl(phenyl)phosphoryl]benzene
PubChem CID13152584
Molecular FormulaC17H21OP
Molecular Weight272.33 g/mol
Exact Mass272.13
IUPAC Name[pentyl(phenyl)phosphoryl]benzene
SMILESCCCCCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21OP/c1-2-3-10-15-19(18,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3
InChIKeyNAUPXNHJMXABGJ-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [pentyl(phenyl)phosphoryl]benzene?
The IUPAC name of [pentyl(phenyl)phosphoryl]benzene (CID 13152584) is [pentyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [pentyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [pentyl(phenyl)phosphoryl]benzene is CCCCCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [pentyl(phenyl)phosphoryl]benzene?
The InChIKey is NAUPXNHJMXABGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21OP/c1-2-3-10-15-19(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 [pentyl(phenyl)phosphoryl]benzene?
[pentyl(phenyl)phosphoryl]benzene has a molecular weight of 272.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [pentyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 13152584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).