10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one

C21H16O2 — CID 132851249

IUPAC10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one
SMILESO=C1CC2CC(c3ccccc3)c3cccc4ccc(c2c34)O1
InChIInChI=1S/C21H16O2/c22-19-12-15-11-17(13-5-2-1-3-6-13)16-8-4-7-14-9-10-18(23-19)21(15)20(14)16/h1-10,15,17H,11-12H2
InChIKeyBLCZIBOIHJRUFN-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.77
Rot. Bonds1

About 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one

10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one (PubChem CID 132851249) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one.

Molecular Properties

Compound Name10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one
PubChem CID132851249
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one
SMILESO=C1CC2CC(c3ccccc3)c3cccc4ccc(c2c34)O1
InChIInChI=1S/C21H16O2/c22-19-12-15-11-17(13-5-2-1-3-6-13)16-8-4-7-14-9-10-18(23-19)21(15)20(14)16/h1-10,15,17H,11-12H2
InChIKeyBLCZIBOIHJRUFN-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one?
The IUPAC name of 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one (CID 132851249) is 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one.
What is the SMILES notation for 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one?
The canonical SMILES for 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one is O=C1CC2CC(c3ccccc3)c3cccc4ccc(c2c34)O1.
What is the InChIKey of 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one?
The InChIKey is BLCZIBOIHJRUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-19-12-15-11-17(13-5-2-1-3-6-13)16-8-4-7-14-9-10-18(23-19)21(15)20(14)16/h1-10,15,17H,11-12H2.
What are the key properties of 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one?
10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one has a molecular weight of 300.36 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-5-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),11,13-pentaen-6-one is sourced from PubChem (CID 132851249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).