(1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

C18H18O3 — CID 134937158

IUPAC(1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCC(C)C1c2ccccc2[C@H]2OO[C@]1(c1ccccc1)O2
InChIInChI=1S/C18H18O3/c1-12(2)16-14-10-6-7-11-15(14)17-19-18(16,21-20-17)13-8-4-3-5-9-13/h3-12,16-17H,1-2H3/t16?,17-,18+/m1/s1
InChIKeyLYJAMYSXLQXRHZ-RWZMTBSZSA-N
MW282.34 g/mol
LogP4.27
Rot. Bonds2

About (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

(1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 134937158) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID134937158
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESCC(C)C1c2ccccc2[C@H]2OO[C@]1(c1ccccc1)O2
InChIInChI=1S/C18H18O3/c1-12(2)16-14-10-6-7-11-15(14)17-19-18(16,21-20-17)13-8-4-3-5-9-13/h3-12,16-17H,1-2H3/t16?,17-,18+/m1/s1
InChIKeyLYJAMYSXLQXRHZ-RWZMTBSZSA-N
XLogP4.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene 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

(1R,9R)-8-tert-butyl-9-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 134937131
(1S,9S)-8-ethyl-9-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 134938097
2,2-difluoro-3-propan-2-yl-1,3-dihydroinden-1-ol
CID 140915621
(1S,9R)-8,8,9-trimethyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 10608340
10-methyl-10-phenyl-9-propan-2-yl-9H-anthracene
CID 176765593
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
CID 14809978
(4R)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11300512
(1R,2S)-2-methyl-3-oxo-1-propan-2-yl-1,4-dihydronaphthalene-2-carbaldehyde
CID 101059430
(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 59070564
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
(4R)-5,5-diphenyl-4-propan-2-yl-4H-1,3-oxazole
CID 174626798

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 134937158) is (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is CC(C)C1c2ccccc2[C@H]2OO[C@]1(c1ccccc1)O2.
What is the InChIKey of (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is LYJAMYSXLQXRHZ-RWZMTBSZSA-N. The full InChI is InChI=1S/C18H18O3/c1-12(2)16-14-10-6-7-11-15(14)17-19-18(16,21-20-17)13-8-4-3-5-9-13/h3-12,16-17H,1-2H3/t16?,17-,18+/m1/s1.
What are the key properties of (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
(1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 282.34 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-9-phenyl-8-propan-2-yl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 134937158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).