12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene

C14H8O — CID 14322637

IUPAC12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene
SMILESc1cc2ccc3coc4ccc(c1)c2c34
InChIInChI=1S/C14H8O/c1-2-9-4-5-11-8-15-12-7-6-10(3-1)13(9)14(11)12/h1-8H
InChIKeyHIBTZHJNBSGULA-UHFFFAOYSA-N
MW192.22 g/mol
LogP4.18
Rot. Bonds

About 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene

12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene (PubChem CID 14322637) has the molecular formula C14H8O and a molecular weight of 192.22 g/mol. Its IUPAC name is 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene.

Molecular Properties

Compound Name12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene
PubChem CID14322637
Molecular FormulaC14H8O
Molecular Weight192.22 g/mol
Exact Mass192.06
IUPAC Name12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene
SMILESc1cc2ccc3coc4ccc(c1)c2c34
InChIInChI=1S/C14H8O/c1-2-9-4-5-11-8-15-12-7-6-10(3-1)13(9)14(11)12/h1-8H
InChIKeyHIBTZHJNBSGULA-UHFFFAOYSA-N
XLogP4.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Beta-Naphthoflavone
CID 2361
Dibenzofuran
CID 568
Alpha-Naphthoflavone
CID 11790
Tanshinone I
CID 114917
Cra 13
CID 9799417
6-Methoxy-2-naphthaldehyde
CID 76991
1-Benzofuran-5-carbaldehyde
CID 2773875
Benzo(b)naphtho(2,3-d)furan
CID 71072
Benzofurans
CID 253613
4-Methoxy-1-naphthaldehyde
CID 85217
2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489

Frequently Asked Questions

What is the IUPAC name of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
The IUPAC name of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene (CID 14322637) is 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene.
What is the SMILES notation for 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
The canonical SMILES for 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene is c1cc2ccc3coc4ccc(c1)c2c34.
What is the InChIKey of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
The InChIKey is HIBTZHJNBSGULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O/c1-2-9-4-5-11-8-15-12-7-6-10(3-1)13(9)14(11)12/h1-8H.
What are the key properties of 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene?
12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene has a molecular weight of 192.22 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4(15),5,7,9,11(14)-heptaene is sourced from PubChem (CID 14322637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).