(1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one

C19H22O2 — CID 135023505

IUPAC(1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one
SMILESO=C1C[C@]23C=C[C@H]1C[C@H]2CCCC3OCc1ccccc1
InChIInChI=1S/C19H22O2/c20-17-12-19-10-9-15(17)11-16(19)7-4-8-18(19)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-10,15-16,18H,4,7-8,11-13H2/t15-,16+,18?,19+/m0/s1
InChIKeyOHIDGZIJERPEPZ-KGSXOFGPSA-N
MW282.38 g/mol
LogP3.91
Rot. Bonds3

About (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one

(1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one (PubChem CID 135023505) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one.

Molecular Properties

Compound Name(1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one
PubChem CID135023505
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one
SMILESO=C1C[C@]23C=C[C@H]1C[C@H]2CCCC3OCc1ccccc1
InChIInChI=1S/C19H22O2/c20-17-12-19-10-9-15(17)11-16(19)7-4-8-18(19)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-10,15-16,18H,4,7-8,11-13H2/t15-,16+,18?,19+/m0/s1
InChIKeyOHIDGZIJERPEPZ-KGSXOFGPSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl oleanolate
CID 11753144
(6S,8R,9S,10R,13S,14S)-10,13-dimethyl-6-phenylmethoxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 10644237
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(benzyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
CID 44563444
(3R,5S,8S,9S,10S,11S,13S,14S)-3-hydroxy-10,13-dimethyl-11-phenylmethoxy-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 56955306
(5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-6,12-bis(phenylmethoxy)-17-[(2R)-2,6,6-trimethyloxan-2-yl]-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 145983602
benzyl (2R)-2-[(2S,4aS)-7-benzyl-4a,8-dimethyl-1-oxo-2,3,4,7-tetrahydronaphthalen-2-yl]propanoate
CID 155566831
Benzyl (20beta)-3beta-hydroxy-12-oxoolean-12-en-29-oate
CID 104043
benzyl (2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-2-carboxylate
CID 155568976
Benzyl ursolate
CID 67952979
benzyl (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 11753347
(4aS,6aS,6bR,8aS,12aS,12bR,14bS)-benzyl 2,2,6a,6b,9,9,12a-heptamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
CID 25099095
benzyl (3S,4aR,6aR,7S,8S,10aR,10bS,12aS)-7-(3-methoxy-3-oxopropyl)-3,7,10a,10b,12a-pentamethyl-6-oxo-8-prop-1-en-2-yl-1,2,4,4a,6a,8,9,10,11,12-decahydrochrysene-3-carboxylate
CID 44572992

Frequently Asked Questions

What is the IUPAC name of (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one?
The IUPAC name of (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one (CID 135023505) is (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one.
What is the SMILES notation for (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one?
The canonical SMILES for (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one is O=C1C[C@]23C=C[C@H]1C[C@H]2CCCC3OCc1ccccc1.
What is the InChIKey of (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one?
The InChIKey is OHIDGZIJERPEPZ-KGSXOFGPSA-N. The full InChI is InChI=1S/C19H22O2/c20-17-12-19-10-9-15(17)11-16(19)7-4-8-18(19)21-13-14-5-2-1-3-6-14/h1-3,5-6,9-10,15-16,18H,4,7-8,11-13H2/t15-,16+,18?,19+/m0/s1.
What are the key properties of (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one?
(1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one has a molecular weight of 282.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8R)-2-phenylmethoxytricyclo[6.2.2.01,6]dodec-11-en-9-one is sourced from PubChem (CID 135023505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).