6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione

C15H14O3 — CID 134872718

IUPAC6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione
SMILESO=C1C(=O)C2C3CC1C(OCc1ccccc1)C32
InChIInChI=1S/C15H14O3/c16-13-10-6-9-11(14(13)17)12(9)15(10)18-7-8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2
InChIKeyXDNLKAIHIJIJHC-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.61
Rot. Bonds3

About 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione

6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione (PubChem CID 134872718) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione.

Molecular Properties

Compound Name6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione
PubChem CID134872718
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione
SMILESO=C1C(=O)C2C3CC1C(OCc1ccccc1)C32
InChIInChI=1S/C15H14O3/c16-13-10-6-9-11(14(13)17)12(9)15(10)18-7-8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2
InChIKeyXDNLKAIHIJIJHC-UHFFFAOYSA-N
XLogP1.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3-phenylmethoxytricyclo[3.2.0.02,7]heptan-6-one
CID 12501307
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
(1S,2S,6S,7R,10R)-10-phenylmethoxytricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 10444926
5,6-bis(phenylmethoxy)-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 163966225
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1R,4S,7S,8S)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]oct-5-en-2-one
CID 71376206
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 77175213
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione?
The IUPAC name of 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione (CID 134872718) is 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione.
What is the SMILES notation for 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione?
The canonical SMILES for 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione is O=C1C(=O)C2C3CC1C(OCc1ccccc1)C32.
What is the InChIKey of 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione?
The InChIKey is XDNLKAIHIJIJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c16-13-10-6-9-11(14(13)17)12(9)15(10)18-7-8-4-2-1-3-5-8/h1-5,9-12,15H,6-7H2.
What are the key properties of 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione?
6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione has a molecular weight of 242.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxytricyclo[3.2.1.02,7]octane-3,4-dione is sourced from PubChem (CID 134872718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).