15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane

C16H14O2 — CID 174818329

IUPAC15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane
SMILESC1CO1.c1ccc2c(c1)C1OC2c2ccccc21
InChIInChI=1S/C14H10O.C2H4O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)15-13;1-2-3-1/h1-8,13-14H;1-2H2
InChIKeyFZBXINZBLUEWBM-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.23
Rot. Bonds

About 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane

15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane (PubChem CID 174818329) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane.

Molecular Properties

Compound Name15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane
PubChem CID174818329
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane
SMILESC1CO1.c1ccc2c(c1)C1OC2c2ccccc21
InChIInChI=1S/C14H10O.C2H4O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)15-13;1-2-3-1/h1-8,13-14H;1-2H2
InChIKeyFZBXINZBLUEWBM-UHFFFAOYSA-N
XLogP3.23
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane 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

1a,9b-Dihydrophenanthro(9,10-b)oxirene
CID 104975
(9R,10S)-9,10-epoxy-9,10-dihydrophenanthrene
CID 443196
9,10-Epoxy-9,10-dihydrobenz(j)aceanthrylene
CID 148349
1,4-Epoxy-1,2,3,4-tetrahydronaphthalene
CID 141969
1,4-Epoxyanthracene, 1,4-dihydro-
CID 312131
(12R,15S)-2,2,3,3,8,8,9,9-octafluoro-19-oxapentacyclo[8.6.2.24,7.112,15.011,16]henicosa-1(16),4,6,10,13,17,20-heptaene
CID 10884261
15-Oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene
CID 343027
Phthalan, 1,1-dimethyl-3-phenyl-
CID 610622
1,4,5,8-Tetrahydro-1,4,5,8-diepoxyanthracene
CID 3532222
5-Methyl-1,4-dihydro-1,4-epoxynaphthalene
CID 13702219
1,3-Diphenyl-1,3-dihydro-2-benzofuran
CID 282477
1,1-Diphenyl-1,3-dihydro-2-benzofuran
CID 571068

Frequently Asked Questions

What is the IUPAC name of 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane?
The IUPAC name of 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane (CID 174818329) is 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane.
What is the SMILES notation for 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane?
The canonical SMILES for 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane is C1CO1.c1ccc2c(c1)C1OC2c2ccccc21.
What is the InChIKey of 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane?
The InChIKey is FZBXINZBLUEWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O.C2H4O/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14(10)15-13;1-2-3-1/h1-8,13-14H;1-2H2.
What are the key properties of 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane?
15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane has a molecular weight of 238.29 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxatetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaene;oxirane is sourced from PubChem (CID 174818329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).