4-hydroxy-2,3,4-triphenylcyclopentan-1-one

C23H20O2 — CID 4145007

IUPAC4-hydroxy-2,3,4-triphenylcyclopentan-1-one
SMILESO=C1CC(O)(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H20O2/c24-20-16-23(25,19-14-8-3-9-15-19)22(18-12-6-2-7-13-18)21(20)17-10-4-1-5-11-17/h1-15,21-22,25H,16H2
InChIKeyKAEAITWIXLBOTC-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.41
Rot. Bonds3

About 4-hydroxy-2,3,4-triphenylcyclopentan-1-one

4-hydroxy-2,3,4-triphenylcyclopentan-1-one (PubChem CID 4145007) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-hydroxy-2,3,4-triphenylcyclopentan-1-one.

Molecular Properties

Compound Name4-hydroxy-2,3,4-triphenylcyclopentan-1-one
PubChem CID4145007
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name4-hydroxy-2,3,4-triphenylcyclopentan-1-one
SMILESO=C1CC(O)(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C23H20O2/c24-20-16-23(25,19-14-8-3-9-15-19)22(18-12-6-2-7-13-18)21(20)17-10-4-1-5-11-17/h1-15,21-22,25H,16H2
InChIKeyKAEAITWIXLBOTC-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
The IUPAC name of 4-hydroxy-2,3,4-triphenylcyclopentan-1-one (CID 4145007) is 4-hydroxy-2,3,4-triphenylcyclopentan-1-one.
What is the SMILES notation for 4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
The canonical SMILES for 4-hydroxy-2,3,4-triphenylcyclopentan-1-one is O=C1CC(O)(c2ccccc2)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
The InChIKey is KAEAITWIXLBOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c24-20-16-23(25,19-14-8-3-9-15-19)22(18-12-6-2-7-13-18)21(20)17-10-4-1-5-11-17/h1-15,21-22,25H,16H2.
What are the key properties of 4-hydroxy-2,3,4-triphenylcyclopentan-1-one?
4-hydroxy-2,3,4-triphenylcyclopentan-1-one has a molecular weight of 328.41 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3,4-triphenylcyclopentan-1-one is sourced from PubChem (CID 4145007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).