4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one

C14H12O2 — CID 142722776

IUPAC4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one
SMILESO=C1COCC2=C1C=CC1=CC=CC=C2C1
InChIInChI=1S/C14H12O2/c15-14-9-16-8-13-11-4-2-1-3-10(7-11)5-6-12(13)14/h1-6H,7-9H2
InChIKeyDVJVNWIFKOVZJX-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.26
Rot. Bonds

About 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one

4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one (PubChem CID 142722776) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one.

Molecular Properties

Compound Name4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one
PubChem CID142722776
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one
SMILESO=C1COCC2=C1C=CC1=CC=CC=C2C1
InChIInChI=1S/C14H12O2/c15-14-9-16-8-13-11-4-2-1-3-10(7-11)5-6-12(13)14/h1-6H,7-9H2
InChIKeyDVJVNWIFKOVZJX-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one?
The IUPAC name of 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one (CID 142722776) is 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one.
What is the SMILES notation for 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one?
The canonical SMILES for 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one is O=C1COCC2=C1C=CC1=CC=CC=C2C1.
What is the InChIKey of 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one?
The InChIKey is DVJVNWIFKOVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-14-9-16-8-13-11-4-2-1-3-10(7-11)5-6-12(13)14/h1-6H,7-9H2.
What are the key properties of 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one?
4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one has a molecular weight of 212.25 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[8.4.1.02,7]pentadeca-1(14),2(7),8,10,12-pentaen-6-one is sourced from PubChem (CID 142722776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).