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

C15H12O3 — CID 101035570

IUPAC(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc([C@]23OO[C@H](Cc4ccccc42)O3)cc1
InChIInChI=1S/C15H12O3/c1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14(16-15)17-18-15/h1-9,14H,10H2/t14-,15+/m1/s1
InChIKeyKHDNTPOCKPHNJS-CABCVRRESA-N
MW240.26 g/mol
LogP2.75
Rot. Bonds1

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

(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (PubChem CID 101035570) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
PubChem CID101035570
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
SMILESc1ccc([C@]23OO[C@H](Cc4ccccc42)O3)cc1
InChIInChI=1S/C15H12O3/c1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14(16-15)17-18-15/h1-9,14H,10H2/t14-,15+/m1/s1
InChIKeyKHDNTPOCKPHNJS-CABCVRRESA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,9R)-1-phenyl-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

4-bromo-2,2-diphenyl-1,3-dioxolane
CID 175223631
5-(4-chlorophenyl)-3,3-diphenyl-1,2,4-trioxolane
CID 14809978
1-phenyl-6,7,8-trioxabicyclo[3.2.1]octane
CID 12528114
5-phenyl-6,11,11a,12-tetrahydro-5aH-tetracen-5-ol
CID 166440741
3,3-diphenyl-1H-2-benzofuran
CID 571068
8,8-dimethyl-1-phenyl-10,13,14-trioxatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene
CID 85159246
(1S,9S)-9-methyl-1-phenyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-one
CID 11601398
3-methoxyspiro[3,4-dihydroisochromene-1,4'-cyclohexane]-1'-one
CID 138958425
4-[(4-aminophenyl)methyl]aniline;1-phenyl-2,3-dihydroindene-1,2-diamine
CID 70399774
(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one
CID 11240906
3,3,7-triphenyl-7H-1,2,4-trioxepine
CID 101151117
2-phenylspiro[3-oxatricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene-5,1'-cyclohexane]
CID 59109016

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The IUPAC name of (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene (CID 101035570) is (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The canonical SMILES for (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is c1ccc([C@]23OO[C@H](Cc4ccccc42)O3)cc1.
What is the InChIKey of (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
The InChIKey is KHDNTPOCKPHNJS-CABCVRRESA-N. The full InChI is InChI=1S/C15H12O3/c1-2-7-12(8-3-1)15-13-9-5-4-6-11(13)10-14(16-15)17-18-15/h1-9,14H,10H2/t14-,15+/m1/s1.
What are the key properties of (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene?
(1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene has a molecular weight of 240.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-1-phenyl-10,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 101035570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).