11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one

C13H10O2 — CID 101074094

IUPAC11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one
SMILESO=C1Cc2cccc3cccc(c23)CO1
InChIInChI=1S/C13H10O2/c14-12-7-10-5-1-3-9-4-2-6-11(8-15-12)13(9)10/h1-6H,7-8H2
InChIKeyQQMYQXBMHGWZJR-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.44
Rot. Bonds

About 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one

11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one (PubChem CID 101074094) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one.

Molecular Properties

Compound Name11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one
PubChem CID101074094
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one
SMILESO=C1Cc2cccc3cccc(c23)CO1
InChIInChI=1S/C13H10O2/c14-12-7-10-5-1-3-9-4-2-6-11(8-15-12)13(9)10/h1-6H,7-8H2
InChIKeyQQMYQXBMHGWZJR-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one with MolForge

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Related Compounds

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CID 161018660
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
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CID 121217424
8-fluoro-2H-acenaphthylen-1-one
CID 594034
ethane;2-methylidene-3H-phenalen-1-one
CID 143157925
12-methoxy-12-oxido-11,13-dioxa-12-phosphoniatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 101178463
8-(2,3-diamino-4-pyridinyl)-1,4-dihydroisochromen-3-one
CID 159830511
1,2-dihydroacenaphthylene;perylene
CID 157201241
(2S)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-ol
CID 129404909
2-methyl-1H-phenalene
CID 71398400
7-amino-3H-2-benzofuran-1-one
CID 10909726
2,2-dichloro-1,3-dihydrophenalene
CID 174423090

Frequently Asked Questions

What is the IUPAC name of 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one?
The IUPAC name of 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one (CID 101074094) is 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one.
What is the SMILES notation for 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one?
The canonical SMILES for 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one is O=C1Cc2cccc3cccc(c23)CO1.
What is the InChIKey of 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one?
The InChIKey is QQMYQXBMHGWZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c14-12-7-10-5-1-3-9-4-2-6-11(8-15-12)13(9)10/h1-6H,7-8H2.
What are the key properties of 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one?
11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one has a molecular weight of 198.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one is sourced from PubChem (CID 101074094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).