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

C19H23O3P — CID 102071318

IUPAC[(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene
SMILESCCOP(=O)(OCC)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H23O3P/c1-3-21-23(20,22-4-2)19(17-13-9-6-10-14-17)15-18(19)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3/t18-,19-/m1/s1
InChIKeyMFNIEWODAFGCMU-RTBURBONSA-N
MW330.36 g/mol
LogP5.34
Rot. Bonds7

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

[(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene (PubChem CID 102071318) has the molecular formula C19H23O3P and a molecular weight of 330.36 g/mol. Its IUPAC name is [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene
PubChem CID102071318
Molecular FormulaC19H23O3P
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene
SMILESCCOP(=O)(OCC)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H23O3P/c1-3-21-23(20,22-4-2)19(17-13-9-6-10-14-17)15-18(19)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3/t18-,19-/m1/s1
InChIKeyMFNIEWODAFGCMU-RTBURBONSA-N
XLogP5.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.36
LogP ≤ 55.34
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-diethoxyphosphoryl-2-phenylcyclopropyl]benzene?
The IUPAC name of [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene (CID 102071318) is [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene.
What is the SMILES notation for [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene?
The canonical SMILES for [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene is CCOP(=O)(OCC)[C@@]1(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene?
The InChIKey is MFNIEWODAFGCMU-RTBURBONSA-N. The full InChI is InChI=1S/C19H23O3P/c1-3-21-23(20,22-4-2)19(17-13-9-6-10-14-17)15-18(19)16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene?
[(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene has a molecular weight of 330.36 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-diethoxyphosphoryl-2-phenylcyclopropyl]benzene is sourced from PubChem (CID 102071318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).