8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene

C13H10O — CID 142466952

IUPAC8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
SMILESC1=CC2CC2c2oc3ccccc3c21
InChIInChI=1S/C13H10O/c1-2-4-12-9(3-1)10-6-5-8-7-11(8)13(10)14-12/h1-6,8,11H,7H2
InChIKeyPTBQCONZISEJEG-UHFFFAOYSA-N
MW182.22 g/mol
LogP3.56
Rot. Bonds

About 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene

8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene (PubChem CID 142466952) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene.

Molecular Properties

Compound Name8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
PubChem CID142466952
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene
SMILESC1=CC2CC2c2oc3ccccc3c21
InChIInChI=1S/C13H10O/c1-2-4-12-9(3-1)10-6-5-8-7-11(8)13(10)14-12/h1-6,8,11H,7H2
InChIKeyPTBQCONZISEJEG-UHFFFAOYSA-N
XLogP3.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene with MolForge

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Related Compounds

(3R,4S)-4-azido-3,4-dihydrodibenzofuran-3-ol
CID 151477234
ethane;8-phenyl-8H-cyclohepta[b][1]benzofuran
CID 142519672
8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane
CID 143846018
10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142568970
1-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),4,6,8,11,14,16,18-octaen-8-yl)ethanone
CID 170228939
[amino(3,4-dihydrodibenzofuran-4-yl)methyl]-[amino(phenyl)methyl]azanide
CID 163919824
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
9-[9-(3-methyl-3,4-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]carbazole
CID 170284080
2-cyclohex-2-en-1-yl-1-benzofuran-3-carbaldehyde
CID 46868100
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105

Frequently Asked Questions

What is the IUPAC name of 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
The IUPAC name of 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene (CID 142466952) is 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene.
What is the SMILES notation for 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
The canonical SMILES for 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene is C1=CC2CC2c2oc3ccccc3c21.
What is the InChIKey of 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
The InChIKey is PTBQCONZISEJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-2-4-12-9(3-1)10-6-5-8-7-11(8)13(10)14-12/h1-6,8,11H,7H2.
What are the key properties of 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene?
8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene has a molecular weight of 182.22 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,13-pentaene is sourced from PubChem (CID 142466952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).