4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one

C23H20O2 — CID 22107230

IUPAC4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one
SMILESCc1cc(C(C)(C)c2ccccc2)cc2c(=O)c3ccccc3oc12
InChIInChI=1S/C23H20O2/c1-15-13-17(23(2,3)16-9-5-4-6-10-16)14-19-21(24)18-11-7-8-12-20(18)25-22(15)19/h4-14H,1-3H3
InChIKeySKSSHAAOFHPNLJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.58
Rot. Bonds2

About 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one

4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one (PubChem CID 22107230) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one.

Molecular Properties

Compound Name4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one
PubChem CID22107230
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one
SMILESCc1cc(C(C)(C)c2ccccc2)cc2c(=O)c3ccccc3oc12
InChIInChI=1S/C23H20O2/c1-15-13-17(23(2,3)16-9-5-4-6-10-16)14-19-21(24)18-11-7-8-12-20(18)25-22(15)19/h4-14H,1-3H3
InChIKeySKSSHAAOFHPNLJ-UHFFFAOYSA-N
XLogP5.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one?
The IUPAC name of 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one (CID 22107230) is 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one.
What is the SMILES notation for 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one?
The canonical SMILES for 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one is Cc1cc(C(C)(C)c2ccccc2)cc2c(=O)c3ccccc3oc12.
What is the InChIKey of 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one?
The InChIKey is SKSSHAAOFHPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-15-13-17(23(2,3)16-9-5-4-6-10-16)14-19-21(24)18-11-7-8-12-20(18)25-22(15)19/h4-14H,1-3H3.
What are the key properties of 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one?
4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one has a molecular weight of 328.41 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylpropan-2-yl)xanthen-9-one is sourced from PubChem (CID 22107230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).