7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one

C20H20O2 — CID 102024736

IUPAC7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one
SMILESO=C1CCCC(C(=O)c2ccccc2)CCc2ccccc21
InChIInChI=1S/C20H20O2/c21-19-12-6-10-17(20(22)16-8-2-1-3-9-16)14-13-15-7-4-5-11-18(15)19/h1-5,7-9,11,17H,6,10,12-14H2
InChIKeyXCEOWCUQTMTXSO-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.48
Rot. Bonds2

About 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one

7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one (PubChem CID 102024736) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one.

Molecular Properties

Compound Name7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one
PubChem CID102024736
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one
SMILESO=C1CCCC(C(=O)c2ccccc2)CCc2ccccc21
InChIInChI=1S/C20H20O2/c21-19-12-6-10-17(20(22)16-8-2-1-3-9-16)14-13-15-7-4-5-11-18(15)19/h1-5,7-9,11,17H,6,10,12-14H2
InChIKeyXCEOWCUQTMTXSO-UHFFFAOYSA-N
XLogP4.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one?
The IUPAC name of 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one (CID 102024736) is 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one.
What is the SMILES notation for 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one?
The canonical SMILES for 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one is O=C1CCCC(C(=O)c2ccccc2)CCc2ccccc21.
What is the InChIKey of 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one?
The InChIKey is XCEOWCUQTMTXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c21-19-12-6-10-17(20(22)16-8-2-1-3-9-16)14-13-15-7-4-5-11-18(15)19/h1-5,7-9,11,17H,6,10,12-14H2.
What are the key properties of 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one?
7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one has a molecular weight of 292.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-5,6,7,8,9,10-hexahydrobenzo[9]annulen-11-one is sourced from PubChem (CID 102024736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).