5-hydroxy-1,11-diphenylundecan-3-one

C23H30O2 — CID 57334563

IUPAC5-hydroxy-1,11-diphenylundecan-3-one
SMILESO=C(CCc1ccccc1)CC(O)CCCCCCc1ccccc1
InChIInChI=1S/C23H30O2/c24-22(19-23(25)18-17-21-14-8-4-9-15-21)16-10-2-1-5-11-20-12-6-3-7-13-20/h3-4,6-9,12-15,22,24H,1-2,5,10-11,16-19H2
InChIKeyKOJGDUNEMGGIAC-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.13
Rot. Bonds12

About 5-hydroxy-1,11-diphenylundecan-3-one

5-hydroxy-1,11-diphenylundecan-3-one (PubChem CID 57334563) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is 5-hydroxy-1,11-diphenylundecan-3-one.

Molecular Properties

Compound Name5-hydroxy-1,11-diphenylundecan-3-one
PubChem CID57334563
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name5-hydroxy-1,11-diphenylundecan-3-one
SMILESO=C(CCc1ccccc1)CC(O)CCCCCCc1ccccc1
InChIInChI=1S/C23H30O2/c24-22(19-23(25)18-17-21-14-8-4-9-15-21)16-10-2-1-5-11-20-12-6-3-7-13-20/h3-4,6-9,12-15,22,24H,1-2,5,10-11,16-19H2
InChIKeyKOJGDUNEMGGIAC-UHFFFAOYSA-N
XLogP5.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,11-diphenylundecan-3-one?
The IUPAC name of 5-hydroxy-1,11-diphenylundecan-3-one (CID 57334563) is 5-hydroxy-1,11-diphenylundecan-3-one.
What is the SMILES notation for 5-hydroxy-1,11-diphenylundecan-3-one?
The canonical SMILES for 5-hydroxy-1,11-diphenylundecan-3-one is O=C(CCc1ccccc1)CC(O)CCCCCCc1ccccc1.
What is the InChIKey of 5-hydroxy-1,11-diphenylundecan-3-one?
The InChIKey is KOJGDUNEMGGIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c24-22(19-23(25)18-17-21-14-8-4-9-15-21)16-10-2-1-5-11-20-12-6-3-7-13-20/h3-4,6-9,12-15,22,24H,1-2,5,10-11,16-19H2.
What are the key properties of 5-hydroxy-1,11-diphenylundecan-3-one?
5-hydroxy-1,11-diphenylundecan-3-one has a molecular weight of 338.49 g/mol, XLogP of 5.13, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,11-diphenylundecan-3-one is sourced from PubChem (CID 57334563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).