8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one

C19H12O2 — CID 71551083

IUPAC8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one
SMILESO=C1c2cccc3ccc(-c4ccccc4)c(c23)C2OC12
InChIInChI=1S/C19H12O2/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18-19(17)21-18/h1-10,18-19H
InChIKeyIBWGTRXQCWUQQZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.14
Rot. Bonds1

About 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one

8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one (PubChem CID 71551083) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one.

Molecular Properties

Compound Name8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one
PubChem CID71551083
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one
SMILESO=C1c2cccc3ccc(-c4ccccc4)c(c23)C2OC12
InChIInChI=1S/C19H12O2/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18-19(17)21-18/h1-10,18-19H
InChIKeyIBWGTRXQCWUQQZ-UHFFFAOYSA-N
XLogP4.14
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 123260726
1-[2,4,6-triphenyl-3,5-di(pyren-1-yl)phenyl]pyrene
CID 20596756
1-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyrene
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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one?
The IUPAC name of 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one (CID 71551083) is 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one.
What is the SMILES notation for 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one?
The canonical SMILES for 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one is O=C1c2cccc3ccc(-c4ccccc4)c(c23)C2OC12.
What is the InChIKey of 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one?
The InChIKey is IBWGTRXQCWUQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c20-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18-19(17)21-18/h1-10,18-19H.
What are the key properties of 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one?
8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one has a molecular weight of 272.30 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaen-13-one is sourced from PubChem (CID 71551083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).