[cyclopropylmethoxy(phenyl)phosphoryl]benzene

C16H17O2P — CID 781236

IUPAC[cyclopropylmethoxy(phenyl)phosphoryl]benzene
SMILESO=P(OCC1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P/c17-19(18-13-14-11-12-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyQNGRWNJDDFYXJF-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.34
Rot. Bonds5

About [cyclopropylmethoxy(phenyl)phosphoryl]benzene

[cyclopropylmethoxy(phenyl)phosphoryl]benzene (PubChem CID 781236) has the molecular formula C16H17O2P and a molecular weight of 272.28 g/mol. Its IUPAC name is [cyclopropylmethoxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[cyclopropylmethoxy(phenyl)phosphoryl]benzene
PubChem CID781236
Molecular FormulaC16H17O2P
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name[cyclopropylmethoxy(phenyl)phosphoryl]benzene
SMILESO=P(OCC1CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17O2P/c17-19(18-13-14-11-12-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2
InChIKeyQNGRWNJDDFYXJF-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.34
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 [cyclopropylmethoxy(phenyl)phosphoryl]benzene?
The IUPAC name of [cyclopropylmethoxy(phenyl)phosphoryl]benzene (CID 781236) is [cyclopropylmethoxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for [cyclopropylmethoxy(phenyl)phosphoryl]benzene?
The canonical SMILES for [cyclopropylmethoxy(phenyl)phosphoryl]benzene is O=P(OCC1CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [cyclopropylmethoxy(phenyl)phosphoryl]benzene?
The InChIKey is QNGRWNJDDFYXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O2P/c17-19(18-13-14-11-12-14,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14H,11-13H2.
What are the key properties of [cyclopropylmethoxy(phenyl)phosphoryl]benzene?
[cyclopropylmethoxy(phenyl)phosphoryl]benzene has a molecular weight of 272.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropylmethoxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 781236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).