(1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one

C24H18O3 — CID 139048215

IUPAC(1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one
SMILESC[C@]12C(=O)c3ccccc3[C@H](Oc3ccccc31)[C@@H]2C(=O)c1ccccc1
InChIInChI=1S/C24H18O3/c1-24-18-13-7-8-14-19(18)27-22(16-11-5-6-12-17(16)23(24)26)20(24)21(25)15-9-3-2-4-10-15/h2-14,20,22H,1H3/t20-,22-,24-/m0/s1
InChIKeyRVFKZXSPQDCWAF-SSPYTLHUSA-N
MW354.41 g/mol
LogP4.77
Rot. Bonds2

About (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one

(1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one (PubChem CID 139048215) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one.

Molecular Properties

Compound Name(1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one
PubChem CID139048215
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name(1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one
SMILESC[C@]12C(=O)c3ccccc3[C@H](Oc3ccccc31)[C@@H]2C(=O)c1ccccc1
InChIInChI=1S/C24H18O3/c1-24-18-13-7-8-14-19(18)27-22(16-11-5-6-12-17(16)23(24)26)20(24)21(25)15-9-3-2-4-10-15/h2-14,20,22H,1H3/t20-,22-,24-/m0/s1
InChIKeyRVFKZXSPQDCWAF-SSPYTLHUSA-N
XLogP4.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one?
The IUPAC name of (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one (CID 139048215) is (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one.
What is the SMILES notation for (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one?
The canonical SMILES for (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one is C[C@]12C(=O)c3ccccc3[C@H](Oc3ccccc31)[C@@H]2C(=O)c1ccccc1.
What is the InChIKey of (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one?
The InChIKey is RVFKZXSPQDCWAF-SSPYTLHUSA-N. The full InChI is InChI=1S/C24H18O3/c1-24-18-13-7-8-14-19(18)27-22(16-11-5-6-12-17(16)23(24)26)20(24)21(25)15-9-3-2-4-10-15/h2-14,20,22H,1H3/t20-,22-,24-/m0/s1.
What are the key properties of (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one?
(1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one has a molecular weight of 354.41 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,17R)-17-benzoyl-1-methyl-8-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-16-one is sourced from PubChem (CID 139048215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).