[(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene

C17H19O3P — CID 11392463

IUPAC[(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene
SMILESCOP(=O)(OC)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
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/t16-,17-/m1/s1
InChIKeyDJDKKVGFFQEVIV-IAGOWNOFSA-N
MW302.31 g/mol
LogP4.56
Rot. Bonds5

About [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene

[(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene (PubChem CID 11392463) has the molecular formula C17H19O3P and a molecular weight of 302.31 g/mol. Its IUPAC name is [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene
PubChem CID11392463
Molecular FormulaC17H19O3P
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene
SMILESCOP(=O)(OC)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
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/t16-,17-/m1/s1
InChIKeyDJDKKVGFFQEVIV-IAGOWNOFSA-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 [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene?
The IUPAC name of [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene (CID 11392463) is [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene.
What is the SMILES notation for [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene?
The canonical SMILES for [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene is COP(=O)(OC)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene?
The InChIKey is DJDKKVGFFQEVIV-IAGOWNOFSA-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/t16-,17-/m1/s1.
What are the key properties of [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene?
[(1R,2S)-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 [(1R,2S)-2-dimethoxyphosphoryl-2-phenylcyclopropyl]benzene is sourced from PubChem (CID 11392463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).