2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one

C19H22O3 — CID 18781619

IUPAC2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one
SMILESCC(O)(Cc1ccccc1)C(=O)C(C)(O)Cc1ccccc1
InChIInChI=1S/C19H22O3/c1-18(21,13-15-9-5-3-6-10-15)17(20)19(2,22)14-16-11-7-4-8-12-16/h3-12,21-22H,13-14H2,1-2H3
InChIKeyNDJCDNQKIINPMP-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.54
Rot. Bonds6

About 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one

2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one (PubChem CID 18781619) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one.

Molecular Properties

Compound Name2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one
PubChem CID18781619
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one
SMILESCC(O)(Cc1ccccc1)C(=O)C(C)(O)Cc1ccccc1
InChIInChI=1S/C19H22O3/c1-18(21,13-15-9-5-3-6-10-15)17(20)19(2,22)14-16-11-7-4-8-12-16/h3-12,21-22H,13-14H2,1-2H3
InChIKeyNDJCDNQKIINPMP-UHFFFAOYSA-N
XLogP2.54
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-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 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one?
The IUPAC name of 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one (CID 18781619) is 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one.
What is the SMILES notation for 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one?
The canonical SMILES for 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one is CC(O)(Cc1ccccc1)C(=O)C(C)(O)Cc1ccccc1.
What is the InChIKey of 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one?
The InChIKey is NDJCDNQKIINPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-18(21,13-15-9-5-3-6-10-15)17(20)19(2,22)14-16-11-7-4-8-12-16/h3-12,21-22H,13-14H2,1-2H3.
What are the key properties of 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one?
2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one has a molecular weight of 298.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-2,4-dimethyl-1,5-diphenylpentan-3-one is sourced from PubChem (CID 18781619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).