phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone

C24H20O — CID 154708999

IUPACphenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
SMILESO=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C24H20O/c25-24(17-11-5-2-6-12-17)23-21-15-20(18-13-7-8-14-19(18)21)22(23)16-9-3-1-4-10-16/h1-14,20-23H,15H2/t20-,21+,22-,23+/m1/s1
InChIKeyWKSYBYRQEXWXRV-ACESQOTJSA-N
MW324.42 g/mol
LogP5.55
Rot. Bonds3

About phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone

phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone (PubChem CID 154708999) has the molecular formula C24H20O and a molecular weight of 324.42 g/mol. Its IUPAC name is phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone.

Molecular Properties

Compound Namephenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
PubChem CID154708999
Molecular FormulaC24H20O
Molecular Weight324.42 g/mol
Exact Mass324.15
IUPAC Namephenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
SMILESO=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]2C[C@H]1c1ccccc12
InChIInChI=1S/C24H20O/c25-24(17-11-5-2-6-12-17)23-21-15-20(18-13-7-8-14-19(18)21)22(23)16-9-3-1-4-10-16/h1-14,20-23H,15H2/t20-,21+,22-,23+/m1/s1
InChIKeyWKSYBYRQEXWXRV-ACESQOTJSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
CID 11156987
2-(2-benzoyl-3-phenylcyclopropyl)acetyl chloride
CID 72801553
[(1R,2R,3S,4R)-3-benzoyl-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98136767
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
4-[(1S,2S)-3-benzoyl-2-(4-carboxyphenyl)cyclobutyl]benzoic acid
CID 155223310
[(3S,5R)-5-benzoyl-1-hydroxy-4-phenylpiperidin-3-yl]-phenylmethanone
CID 23267945
N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide
CID 59993581

Frequently Asked Questions

What is the IUPAC name of phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
The IUPAC name of phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone (CID 154708999) is phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone.
What is the SMILES notation for phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
The canonical SMILES for phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone is O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]2C[C@H]1c1ccccc12.
What is the InChIKey of phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
The InChIKey is WKSYBYRQEXWXRV-ACESQOTJSA-N. The full InChI is InChI=1S/C24H20O/c25-24(17-11-5-2-6-12-17)23-21-15-20(18-13-7-8-14-19(18)21)22(23)16-9-3-1-4-10-16/h1-14,20-23H,15H2/t20-,21+,22-,23+/m1/s1.
What are the key properties of phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone?
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone has a molecular weight of 324.42 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone is sourced from PubChem (CID 154708999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).