(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one

C21H20O — CID 11841590

IUPAC(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
SMILESO=C1C=C2c3ccccc3CCC[C@H]2[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H20O/c22-17-13-20(16-7-2-1-3-8-16)19-12-6-10-15-9-4-5-11-18(15)21(19)14-17/h1-5,7-9,11,14,19-20H,6,10,12-13H2/t19-,20+/m0/s1
InChIKeyUZWZFVGNONRQFV-VQTJNVASSA-N
MW288.39 g/mol
LogP4.78
Rot. Bonds1

About (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one

(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one (PubChem CID 11841590) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one.

Molecular Properties

Compound Name(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
PubChem CID11841590
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one
SMILESO=C1C=C2c3ccccc3CCC[C@H]2[C@@H](c2ccccc2)C1
InChIInChI=1S/C21H20O/c22-17-13-20(16-7-2-1-3-8-16)19-12-6-10-15-9-4-5-11-18(15)21(19)14-17/h1-5,7-9,11,14,19-20H,6,10,12-13H2/t19-,20+/m0/s1
InChIKeyUZWZFVGNONRQFV-VQTJNVASSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one?
The IUPAC name of (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one (CID 11841590) is (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one.
What is the SMILES notation for (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one?
The canonical SMILES for (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one is O=C1C=C2c3ccccc3CCC[C@H]2[C@@H](c2ccccc2)C1.
What is the InChIKey of (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one?
The InChIKey is UZWZFVGNONRQFV-VQTJNVASSA-N. The full InChI is InChI=1S/C21H20O/c22-17-13-20(16-7-2-1-3-8-16)19-12-6-10-15-9-4-5-11-18(15)21(19)14-17/h1-5,7-9,11,14,19-20H,6,10,12-13H2/t19-,20+/m0/s1.
What are the key properties of (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one?
(6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one has a molecular weight of 288.39 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-6-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2,11,13-tetraen-4-one is sourced from PubChem (CID 11841590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).