9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one

C24H14O3 — CID 1114099

IUPAC9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one
SMILESO=C(c1ccccc1)c1ccc2oc(-c3ccccc3)c3c2c1C(=O)C=C3
InChIInChI=1S/C24H14O3/c25-19-13-11-18-22-20(27-24(18)16-9-5-2-6-10-16)14-12-17(21(19)22)23(26)15-7-3-1-4-8-15/h1-14H
InChIKeyMIBVRARNVWVQSM-UHFFFAOYSA-N
MW350.37 g/mol
LogP5.54
Rot. Bonds3

About 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one

9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one (PubChem CID 1114099) has the molecular formula C24H14O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one.

Molecular Properties

Compound Name9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one
PubChem CID1114099
Molecular FormulaC24H14O3
Molecular Weight350.37 g/mol
Exact Mass350.09
IUPAC Name9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one
SMILESO=C(c1ccccc1)c1ccc2oc(-c3ccccc3)c3c2c1C(=O)C=C3
InChIInChI=1S/C24H14O3/c25-19-13-11-18-22-20(27-24(18)16-9-5-2-6-10-16)14-12-17(21(19)22)23(26)15-7-3-1-4-8-15/h1-14H
InChIKeyMIBVRARNVWVQSM-UHFFFAOYSA-N
XLogP5.54
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(4-fluorobenzoyl)-3-(4-fluorophenyl)-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one
CID 126843813
(4-amino-2,3-diphenylphenyl)-phenylmethanone
CID 70223924
(6-benzoyl-1,3-diphenylbenzo[f][2]benzofuran-7-yl)-phenylmethanone
CID 13010524
(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
CID 175684502
5-benzoyl-2-phenyl-3,1-benzoxazin-4-one
CID 23126063
6-ethenyl-3-hydroxy-2,5-diphenylchromen-4-one
CID 19427220
(5-benzyl-2,4-diphenylfuran-3-yl)-phenylmethanone
CID 132567633
3-benzoyl-6-methylpyran-2-one
CID 86099445
8-benzoyl-4,9-diphenylfuro[2,3-h]chromen-2-one
CID 44553869
1-benzoylbenzo[c]chromen-6-one
CID 21258648
3-benzoyl-4-phenylchromen-2-one
CID 629843
(4,5-diphenylfuran-2-yl)-phenylmethanone
CID 134830514

Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one?
The IUPAC name of 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one (CID 1114099) is 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one.
What is the SMILES notation for 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one?
The canonical SMILES for 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one is O=C(c1ccccc1)c1ccc2oc(-c3ccccc3)c3c2c1C(=O)C=C3.
What is the InChIKey of 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one?
The InChIKey is MIBVRARNVWVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O3/c25-19-13-11-18-22-20(27-24(18)16-9-5-2-6-10-16)14-12-17(21(19)22)23(26)15-7-3-1-4-8-15/h1-14H.
What are the key properties of 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one?
9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one has a molecular weight of 350.37 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-3-phenyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,5,8,10-pentaen-7-one is sourced from PubChem (CID 1114099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).