[3-methylbutoxy(phenyl)phosphoryl]benzene

C17H21O2P — CID 949334

IUPAC[3-methylbutoxy(phenyl)phosphoryl]benzene
SMILESCC(C)CCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21O2P/c1-15(2)13-14-19-20(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyZZDRCASVJOWGKQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.98
Rot. Bonds6

About [3-methylbutoxy(phenyl)phosphoryl]benzene

[3-methylbutoxy(phenyl)phosphoryl]benzene (PubChem CID 949334) has the molecular formula C17H21O2P and a molecular weight of 288.33 g/mol. Its IUPAC name is [3-methylbutoxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[3-methylbutoxy(phenyl)phosphoryl]benzene
PubChem CID949334
Molecular FormulaC17H21O2P
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Name[3-methylbutoxy(phenyl)phosphoryl]benzene
SMILESCC(C)CCOP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21O2P/c1-15(2)13-14-19-20(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKeyZZDRCASVJOWGKQ-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.98
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 [3-methylbutoxy(phenyl)phosphoryl]benzene?
The IUPAC name of [3-methylbutoxy(phenyl)phosphoryl]benzene (CID 949334) is [3-methylbutoxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for [3-methylbutoxy(phenyl)phosphoryl]benzene?
The canonical SMILES for [3-methylbutoxy(phenyl)phosphoryl]benzene is CC(C)CCOP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-methylbutoxy(phenyl)phosphoryl]benzene?
The InChIKey is ZZDRCASVJOWGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O2P/c1-15(2)13-14-19-20(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3.
What are the key properties of [3-methylbutoxy(phenyl)phosphoryl]benzene?
[3-methylbutoxy(phenyl)phosphoryl]benzene has a molecular weight of 288.33 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylbutoxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 949334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).