(1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one

C24H22O3 — CID 102230796

IUPAC(1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one
SMILESO=C1Oc2ccccc2[C@H]2C3=C(COC3)[C@@H](c3ccccc3)[C@@H]3CCC[C@]123
InChIInChI=1S/C24H22O3/c25-23-24-12-6-10-19(24)21(15-7-2-1-3-8-15)17-13-26-14-18(17)22(24)16-9-4-5-11-20(16)27-23/h1-5,7-9,11,19,21-22H,6,10,12-14H2/t19-,21+,22-,24+/m0/s1
InChIKeyCFCDZPDFMPMJPS-AYEXWZOKSA-N
MW358.44 g/mol
LogP4.60
Rot. Bonds1

About (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one

(1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one (PubChem CID 102230796) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one.

Molecular Properties

Compound Name(1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one
PubChem CID102230796
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name(1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one
SMILESO=C1Oc2ccccc2[C@H]2C3=C(COC3)[C@@H](c3ccccc3)[C@@H]3CCC[C@]123
InChIInChI=1S/C24H22O3/c25-23-24-12-6-10-19(24)21(15-7-2-1-3-8-15)17-13-26-14-18(17)22(24)16-9-4-5-11-20(16)27-23/h1-5,7-9,11,19,21-22H,6,10,12-14H2/t19-,21+,22-,24+/m0/s1
InChIKeyCFCDZPDFMPMJPS-AYEXWZOKSA-N
XLogP4.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one?
The IUPAC name of (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one (CID 102230796) is (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one.
What is the SMILES notation for (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one?
The canonical SMILES for (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one is O=C1Oc2ccccc2[C@H]2C3=C(COC3)[C@@H](c3ccccc3)[C@@H]3CCC[C@]123.
What is the InChIKey of (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one?
The InChIKey is CFCDZPDFMPMJPS-AYEXWZOKSA-N. The full InChI is InChI=1S/C24H22O3/c25-23-24-12-6-10-19(24)21(15-7-2-1-3-8-15)17-13-26-14-18(17)22(24)16-9-4-5-11-20(16)27-23/h1-5,7-9,11,19,21-22H,6,10,12-14H2/t19-,21+,22-,24+/m0/s1.
What are the key properties of (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one?
(1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one has a molecular weight of 358.44 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R,12R)-6-phenyl-9,19-dioxapentacyclo[10.8.0.01,5.07,11.013,18]icosa-7(11),13,15,17-tetraen-20-one is sourced from PubChem (CID 102230796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).