[(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene

C16H25O3P — CID 101173949

IUPAC[(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene
SMILESCC(C)OP(=O)(OC(C)C)[C@@H]1C[C@@]1(C)c1ccccc1
InChIInChI=1S/C16H25O3P/c1-12(2)18-20(17,19-13(3)4)15-11-16(15,5)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t15-,16+/m1/s1
InChIKeyPUQFTZHCUOPVIL-CVEARBPZSA-N
MW296.35 g/mol
LogP4.76
Rot. Bonds6

About [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene

[(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene (PubChem CID 101173949) has the molecular formula C16H25O3P and a molecular weight of 296.35 g/mol. Its IUPAC name is [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene
PubChem CID101173949
Molecular FormulaC16H25O3P
Molecular Weight296.35 g/mol
Exact Mass296.15
IUPAC Name[(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene
SMILESCC(C)OP(=O)(OC(C)C)[C@@H]1C[C@@]1(C)c1ccccc1
InChIInChI=1S/C16H25O3P/c1-12(2)18-20(17,19-13(3)4)15-11-16(15,5)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t15-,16+/m1/s1
InChIKeyPUQFTZHCUOPVIL-CVEARBPZSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.76
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 [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene?
The IUPAC name of [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene (CID 101173949) is [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene.
What is the SMILES notation for [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene?
The canonical SMILES for [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene is CC(C)OP(=O)(OC(C)C)[C@@H]1C[C@@]1(C)c1ccccc1.
What is the InChIKey of [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene?
The InChIKey is PUQFTZHCUOPVIL-CVEARBPZSA-N. The full InChI is InChI=1S/C16H25O3P/c1-12(2)18-20(17,19-13(3)4)15-11-16(15,5)14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene?
[(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene has a molecular weight of 296.35 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-di(propan-2-yloxy)phosphoryl-1-methylcyclopropyl]benzene is sourced from PubChem (CID 101173949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).