3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one

C22H18O2 — CID 3334700

IUPAC3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one
SMILESCc1ccc(C2C(=O)c3ccccc3C2(O)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-15-11-13-16(14-12-15)20-21(23)18-9-5-6-10-19(18)22(20,24)17-7-3-2-4-8-17/h2-14,20,24H,1H3
InChIKeyPGJFNBYODRCHKH-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.21
Rot. Bonds2

About 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one

3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one (PubChem CID 3334700) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one
PubChem CID3334700
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one
SMILESCc1ccc(C2C(=O)c3ccccc3C2(O)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-15-11-13-16(14-12-15)20-21(23)18-9-5-6-10-19(18)22(20,24)17-7-3-2-4-8-17/h2-14,20,24H,1H3
InChIKeyPGJFNBYODRCHKH-UHFFFAOYSA-N
XLogP4.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one (CID 3334700) is 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one is Cc1ccc(C2C(=O)c3ccccc3C2(O)c2ccccc2)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
The InChIKey is PGJFNBYODRCHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-15-11-13-16(14-12-15)20-21(23)18-9-5-6-10-19(18)22(20,24)17-7-3-2-4-8-17/h2-14,20,24H,1H3.
What are the key properties of 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one?
3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one has a molecular weight of 314.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-inden-1-one is sourced from PubChem (CID 3334700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).