(8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one

C20H20O2 — CID 134950078

IUPAC(8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one
SMILESO=C1CC2(COCc3ccccc3)CC[C@@H]1c1ccccc12
InChIInChI=1S/C20H20O2/c21-19-12-20(14-22-13-15-6-2-1-3-7-15)11-10-17(19)16-8-4-5-9-18(16)20/h1-9,17H,10-14H2/t17-,20?/m1/s1
InChIKeyDVNAYPYKMSAROC-DIAVIDTQSA-N
MW292.38 g/mol
LogP3.99
Rot. Bonds4

About (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one

(8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one (PubChem CID 134950078) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one.

Molecular Properties

Compound Name(8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one
PubChem CID134950078
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name(8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one
SMILESO=C1CC2(COCc3ccccc3)CC[C@@H]1c1ccccc12
InChIInChI=1S/C20H20O2/c21-19-12-20(14-22-13-15-6-2-1-3-7-15)11-10-17(19)16-8-4-5-9-18(16)20/h1-9,17H,10-14H2/t17-,20?/m1/s1
InChIKeyDVNAYPYKMSAROC-DIAVIDTQSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 44563444
benzyl (2R)-2-[(2S,4aS)-7-benzyl-4a,8-dimethyl-1-oxo-2,3,4,7-tetrahydronaphthalen-2-yl]propanoate
CID 155566831
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
Phthalic acid tetrahydroabietyl alcohol diester
CID 118984403
(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 (4aS,6aS,6bR,11E,12aR,14bS)-11-(hydroxymethylidene)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,3,4,5,6,6a,7,8,8a,12,13,14b-dodecahydropicene-4a-carboxylate
CID 44411641
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
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3-[(1S,2S,4aR,4bS,6aS,9S,10aR,12aR)-1,4a,4b,6a,9-pentamethyl-12-oxo-9-phenylmethoxycarbonyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,10,10a,12a-decahydrochrysen-1-yl]propanoic acid
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(1R,4aS,6aS,6bR,8aS,11S,12aS,12bR,14bS)-benzyl 11-hydroxy-1,2,2,6a,6b,9,9,12a-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
CID 46882844

Frequently Asked Questions

What is the IUPAC name of (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one?
The IUPAC name of (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one (CID 134950078) is (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one.
What is the SMILES notation for (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one?
The canonical SMILES for (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one is O=C1CC2(COCc3ccccc3)CC[C@@H]1c1ccccc12.
What is the InChIKey of (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one?
The InChIKey is DVNAYPYKMSAROC-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H20O2/c21-19-12-20(14-22-13-15-6-2-1-3-7-15)11-10-17(19)16-8-4-5-9-18(16)20/h1-9,17H,10-14H2/t17-,20?/m1/s1.
What are the key properties of (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one?
(8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one has a molecular weight of 292.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1-(phenylmethoxymethyl)tricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one is sourced from PubChem (CID 134950078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).