(1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane

C16H21O3P — CID 98524405

IUPAC(1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane
SMILESCOP(=O)(OC)C1(c2ccccc2)[C@@H]2[C@@H]3CC[C@H](C3)[C@H]21
InChIInChI=1S/C16H21O3P/c1-18-20(17,19-2)16(13-6-4-3-5-7-13)14-11-8-9-12(10-11)15(14)16/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12-,14-,15-/m1/s1
InChIKeyRTZCVGBLWXNREY-QHSBEEBCSA-N
MW292.31 g/mol
LogP4.04
Rot. Bonds4

About (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane

(1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane (PubChem CID 98524405) has the molecular formula C16H21O3P and a molecular weight of 292.31 g/mol. Its IUPAC name is (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name(1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane
PubChem CID98524405
Molecular FormulaC16H21O3P
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane
SMILESCOP(=O)(OC)C1(c2ccccc2)[C@@H]2[C@@H]3CC[C@H](C3)[C@H]21
InChIInChI=1S/C16H21O3P/c1-18-20(17,19-2)16(13-6-4-3-5-7-13)14-11-8-9-12(10-11)15(14)16/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12-,14-,15-/m1/s1
InChIKeyRTZCVGBLWXNREY-QHSBEEBCSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 54.04
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,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane?
The IUPAC name of (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane (CID 98524405) is (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane.
What is the SMILES notation for (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane?
The canonical SMILES for (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane is COP(=O)(OC)C1(c2ccccc2)[C@@H]2[C@@H]3CC[C@H](C3)[C@H]21.
What is the InChIKey of (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane?
The InChIKey is RTZCVGBLWXNREY-QHSBEEBCSA-N. The full InChI is InChI=1S/C16H21O3P/c1-18-20(17,19-2)16(13-6-4-3-5-7-13)14-11-8-9-12(10-11)15(14)16/h3-7,11-12,14-15H,8-10H2,1-2H3/t11-,12-,14-,15-/m1/s1.
What are the key properties of (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane?
(1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane has a molecular weight of 292.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R)-3-dimethoxyphosphoryl-3-phenyltricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 98524405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).