(2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene

C17H19O3P — CID 72829365

IUPAC(2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene
SMILESCOP(=O)(OC)C1(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H19O3P/c1-19-21(18,20-2)17(15-11-7-4-8-12-15)13-16(17)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3
InChIKeyDJDKKVGFFQEVIV-UHFFFAOYSA-N
MW302.31 g/mol
LogP4.56
Rot. Bonds5

About (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene

(2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene (PubChem CID 72829365) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene.

Molecular Properties

Compound Name(2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene
PubChem CID72829365
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name(2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene
SMILESCOP(=O)(OC)C1(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C17H19O3P/c1-19-21(18,20-2)17(15-11-7-4-8-12-15)13-16(17)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3
InChIKeyDJDKKVGFFQEVIV-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene?
The IUPAC name of (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene (CID 72829365) is (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene.
What is the SMILES notation for (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene?
The canonical SMILES for (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene is COP(=O)(OC)C1(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene?
The InChIKey is DJDKKVGFFQEVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O3P/c1-19-21(18,20-2)17(15-11-7-4-8-12-15)13-16(17)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3.
What are the key properties of (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene?
(2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene has a molecular weight of 302.31 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dimethoxyphosphoryl-2-phenylcyclopropyl)benzene is sourced from PubChem (CID 72829365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).