6-hydroxy-1,8-diphenyloctan-4-one

C20H24O2 — CID 24881474

IUPAC6-hydroxy-1,8-diphenyloctan-4-one
SMILESO=C(CCCc1ccccc1)CC(O)CCc1ccccc1
InChIInChI=1S/C20H24O2/c21-19(13-7-12-17-8-3-1-4-9-17)16-20(22)15-14-18-10-5-2-6-11-18/h1-6,8-11,20,22H,7,12-16H2
InChIKeyWCURNUQXOLLESU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.96
Rot. Bonds9

About 6-hydroxy-1,8-diphenyloctan-4-one

6-hydroxy-1,8-diphenyloctan-4-one (PubChem CID 24881474) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-hydroxy-1,8-diphenyloctan-4-one.

Molecular Properties

Compound Name6-hydroxy-1,8-diphenyloctan-4-one
PubChem CID24881474
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name6-hydroxy-1,8-diphenyloctan-4-one
SMILESO=C(CCCc1ccccc1)CC(O)CCc1ccccc1
InChIInChI=1S/C20H24O2/c21-19(13-7-12-17-8-3-1-4-9-17)16-20(22)15-14-18-10-5-2-6-11-18/h1-6,8-11,20,22H,7,12-16H2
InChIKeyWCURNUQXOLLESU-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,8-diphenyloctan-4-one?
The IUPAC name of 6-hydroxy-1,8-diphenyloctan-4-one (CID 24881474) is 6-hydroxy-1,8-diphenyloctan-4-one.
What is the SMILES notation for 6-hydroxy-1,8-diphenyloctan-4-one?
The canonical SMILES for 6-hydroxy-1,8-diphenyloctan-4-one is O=C(CCCc1ccccc1)CC(O)CCc1ccccc1.
What is the InChIKey of 6-hydroxy-1,8-diphenyloctan-4-one?
The InChIKey is WCURNUQXOLLESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c21-19(13-7-12-17-8-3-1-4-9-17)16-20(22)15-14-18-10-5-2-6-11-18/h1-6,8-11,20,22H,7,12-16H2.
What are the key properties of 6-hydroxy-1,8-diphenyloctan-4-one?
6-hydroxy-1,8-diphenyloctan-4-one has a molecular weight of 296.41 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,8-diphenyloctan-4-one is sourced from PubChem (CID 24881474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).