3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

C16H12O — CID 15710100

IUPAC3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC1=CC2OC1c1cccc(-c3ccccc3)c12
InChIInChI=1S/C16H12O/c1-2-5-11(6-3-1)12-7-4-8-13-14-9-10-15(17-14)16(12)13/h1-10,14-15H
InChIKeyUXMCPZKPABHYEP-UHFFFAOYSA-N
MW220.27 g/mol
LogP4.04
Rot. Bonds1

About 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene

3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (PubChem CID 15710100) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
PubChem CID15710100
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
SMILESC1=CC2OC1c1cccc(-c3ccccc3)c12
InChIInChI=1S/C16H12O/c1-2-5-11(6-3-1)12-7-4-8-13-14-9-10-15(17-14)16(12)13/h1-10,14-15H
InChIKeyUXMCPZKPABHYEP-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone
CID 132568398
1-[3-(2-bromophenyl)phenyl]-9-phenyl-9H-fluorene
CID 175530244
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
2-cyclopenta-2,4-dien-1-yl-6-phenylphenol
CID 141440558
(2,6-diphenylphenoxy)-diphenylphosphane
CID 86065519
9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
7-phenyl-2,3-dihydro-1-benzofuran-3-amine
CID 43511966
CID 159108391
CID 159108391
8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one
CID 71551083
9-methoxy-1-phenyl-9H-thioxanthene
CID 91278468
9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937017

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The IUPAC name of 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene (CID 15710100) is 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene.
What is the SMILES notation for 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The canonical SMILES for 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is C1=CC2OC1c1cccc(-c3ccccc3)c12.
What is the InChIKey of 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
The InChIKey is UXMCPZKPABHYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c1-2-5-11(6-3-1)12-7-4-8-13-14-9-10-15(17-14)16(12)13/h1-10,14-15H.
What are the key properties of 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene?
3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene has a molecular weight of 220.27 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene is sourced from PubChem (CID 15710100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).