(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene

C15H12O2 — CID 138977577

IUPAC(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
SMILESc1ccc([C@H]2Oc3ccccc3[C@H]3O[C@@H]23)cc1
InChIInChI=1S/C15H12O2/c1-2-6-10(7-3-1)13-15-14(17-15)11-8-4-5-9-12(11)16-13/h1-9,13-15H/t13-,14-,15+/m1/s1
InChIKeyUDSWFHMHTAAZRX-KFWWJZLASA-N
MW224.26 g/mol
LogP3.26
Rot. Bonds1

About (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene

(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene (PubChem CID 138977577) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene.

Molecular Properties

Compound Name(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
PubChem CID138977577
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
SMILESc1ccc([C@H]2Oc3ccccc3[C@H]3O[C@@H]23)cc1
InChIInChI=1S/C15H12O2/c1-2-6-10(7-3-1)13-15-14(17-15)11-8-4-5-9-12(11)16-13/h1-9,13-15H/t13-,14-,15+/m1/s1
InChIKeyUDSWFHMHTAAZRX-KFWWJZLASA-N
XLogP3.26
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 100969448
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
dimethyl-phenyl-[[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]oxy]silane
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Frequently Asked Questions

What is the IUPAC name of (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
The IUPAC name of (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene (CID 138977577) is (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene.
What is the SMILES notation for (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
The canonical SMILES for (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene is c1ccc([C@H]2Oc3ccccc3[C@H]3O[C@@H]23)cc1.
What is the InChIKey of (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
The InChIKey is UDSWFHMHTAAZRX-KFWWJZLASA-N. The full InChI is InChI=1S/C15H12O2/c1-2-6-10(7-3-1)13-15-14(17-15)11-8-4-5-9-12(11)16-13/h1-9,13-15H/t13-,14-,15+/m1/s1.
What are the key properties of (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene?
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene has a molecular weight of 224.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene is sourced from PubChem (CID 138977577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).