11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide

C20H15O2P — CID 134395999

IUPAC11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
SMILESO=P1(c2ccccc2)c2ccccc2C2OC2c2ccccc21
InChIInChI=1S/C20H15O2P/c21-23(14-8-2-1-3-9-14)17-12-6-4-10-15(17)19-20(22-19)16-11-5-7-13-18(16)23/h1-13,19-20H
InChIKeyDJPNEGPCAONCSA-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.45
Rot. Bonds1

About 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide

11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide (PubChem CID 134395999) has the molecular formula C20H15O2P and a molecular weight of 318.31 g/mol. Its IUPAC name is 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide.

Molecular Properties

Compound Name11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
PubChem CID134395999
Molecular FormulaC20H15O2P
Molecular Weight318.31 g/mol
Exact Mass318.08
IUPAC Name11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
SMILESO=P1(c2ccccc2)c2ccccc2C2OC2c2ccccc21
InChIInChI=1S/C20H15O2P/c21-23(14-8-2-1-3-9-14)17-12-6-4-10-15(17)19-20(22-19)16-11-5-7-13-18(16)23/h1-13,19-20H
InChIKeyDJPNEGPCAONCSA-UHFFFAOYSA-N
XLogP3.45
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide?
The IUPAC name of 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide (CID 134395999) is 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide.
What is the SMILES notation for 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide?
The canonical SMILES for 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide is O=P1(c2ccccc2)c2ccccc2C2OC2c2ccccc21.
What is the InChIKey of 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide?
The InChIKey is DJPNEGPCAONCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15O2P/c21-23(14-8-2-1-3-9-14)17-12-6-4-10-15(17)19-20(22-19)16-11-5-7-13-18(16)23/h1-13,19-20H.
What are the key properties of 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide?
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide has a molecular weight of 318.31 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide is sourced from PubChem (CID 134395999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).