phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone

C25H20O — CID 135031279

IUPACphenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone
SMILESO=C(c1ccccc1)[C@H]1c2ccccc2[C@@H]2C[C@H]1C=Cc1ccccc12
InChIInChI=1S/C25H20O/c26-25(18-9-2-1-3-10-18)24-19-15-14-17-8-4-5-11-20(17)23(16-19)21-12-6-7-13-22(21)24/h1-15,19,23-24H,16H2/t19-,23-,24-/m1/s1
InChIKeyKEEUYQRPAZEJGC-CTUHWIOQSA-N
MW336.43 g/mol
LogP5.83
Rot. Bonds2

About phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone

phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone (PubChem CID 135031279) has the molecular formula C25H20O and a molecular weight of 336.43 g/mol. Its IUPAC name is phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone.

Molecular Properties

Compound Namephenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone
PubChem CID135031279
Molecular FormulaC25H20O
Molecular Weight336.43 g/mol
Exact Mass336.15
IUPAC Namephenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone
SMILESO=C(c1ccccc1)[C@H]1c2ccccc2[C@@H]2C[C@H]1C=Cc1ccccc12
InChIInChI=1S/C25H20O/c26-25(18-9-2-1-3-10-18)24-19-15-14-17-8-4-5-11-20(17)23(16-19)21-12-6-7-13-22(21)24/h1-15,19,23-24H,16H2/t19-,23-,24-/m1/s1
InChIKeyKEEUYQRPAZEJGC-CTUHWIOQSA-N
XLogP5.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone with MolForge

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Related Compounds

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[(2R)-1-hydroxy-1,2-dihydronaphthalen-2-yl] benzoate
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1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
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1-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[a]naphthalene
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[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98066243
1H-inden-1-yl-methyl-phenacylsulfanium
CID 139727443
[(1R,2R,3S,6R,7S,8S)-15-azapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraen-15-yl]-phenylmethanone
CID 177495909
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3-bicyclo[4.1.0]hepta-2,4-dienyl(phenyl)methanone
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CID 151679276

Frequently Asked Questions

What is the IUPAC name of phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone?
The IUPAC name of phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone (CID 135031279) is phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone.
What is the SMILES notation for phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone?
The canonical SMILES for phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone is O=C(c1ccccc1)[C@H]1c2ccccc2[C@@H]2C[C@H]1C=Cc1ccccc12.
What is the InChIKey of phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone?
The InChIKey is KEEUYQRPAZEJGC-CTUHWIOQSA-N. The full InChI is InChI=1S/C25H20O/c26-25(18-9-2-1-3-10-18)24-19-15-14-17-8-4-5-11-20(17)23(16-19)21-12-6-7-13-22(21)24/h1-15,19,23-24H,16H2/t19-,23-,24-/m1/s1.
What are the key properties of phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone?
phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone has a molecular weight of 336.43 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1R,10S,11R)-11-tetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,8,12,14,16-heptaenyl]methanone is sourced from PubChem (CID 135031279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).