2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone

C18H14O2 — CID 132568398

IUPAC2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone
SMILESO=C(Cc1cccc2c1C1C=CC2O1)c1ccccc1
InChIInChI=1S/C18H14O2/c19-15(12-5-2-1-3-6-12)11-13-7-4-8-14-16-9-10-17(20-16)18(13)14/h1-10,16-17H,11H2
InChIKeyXVRGAGAZXHKFEN-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.79
Rot. Bonds3

About 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone

2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone (PubChem CID 132568398) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone
PubChem CID132568398
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone
SMILESO=C(Cc1cccc2c1C1C=CC2O1)c1ccccc1
InChIInChI=1S/C18H14O2/c19-15(12-5-2-1-3-6-12)11-13-7-4-8-14-16-9-10-17(20-16)18(13)14/h1-10,16-17H,11H2
InChIKeyXVRGAGAZXHKFEN-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone with MolForge

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Related Compounds

2-naphthalen-1-yl-1-phenylethanone
CID 10900926
1-phenyl-2-(9H-xanthen-9-yl)ethanone
CID 12510354
2-phenacyl-6-phenylbenzoic acid
CID 59608656
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-(2-phenacylphenyl)ethenolate
CID 134860300
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
1,3-bis(5-phenacylfuran-2-yl)propan-2-one
CID 57381075
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,2-diphenylethanone;diphenylmethanone
CID 141067729
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738
1-phenyl-2-(2,3,4-trichlorophenyl)ethanone
CID 175144459

Frequently Asked Questions

What is the IUPAC name of 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone?
The IUPAC name of 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone (CID 132568398) is 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone.
What is the SMILES notation for 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone?
The canonical SMILES for 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone is O=C(Cc1cccc2c1C1C=CC2O1)c1ccccc1.
What is the InChIKey of 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone?
The InChIKey is XVRGAGAZXHKFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c19-15(12-5-2-1-3-6-12)11-13-7-4-8-14-16-9-10-17(20-16)18(13)14/h1-10,16-17H,11H2.
What are the key properties of 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone?
2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone has a molecular weight of 262.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-3-yl)-1-phenylethanone is sourced from PubChem (CID 132568398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).