4-hydroxy-2-methyl-1,2-diphenylpentan-3-one

C18H20O2 — CID 174770449

IUPAC4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
SMILESCC(O)C(=O)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(19)17(20)18(2,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,19H,13H2,1-2H3
InChIKeyJGSRQTZVOJBQLR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.14
Rot. Bonds5

About 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one

4-hydroxy-2-methyl-1,2-diphenylpentan-3-one (PubChem CID 174770449) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
PubChem CID174770449
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-hydroxy-2-methyl-1,2-diphenylpentan-3-one
SMILESCC(O)C(=O)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14(19)17(20)18(2,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,19H,13H2,1-2H3
InChIKeyJGSRQTZVOJBQLR-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
The IUPAC name of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one (CID 174770449) is 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one.
What is the SMILES notation for 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
The canonical SMILES for 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one is CC(O)C(=O)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
The InChIKey is JGSRQTZVOJBQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14(19)17(20)18(2,16-11-7-4-8-12-16)13-15-9-5-3-6-10-15/h3-12,14,19H,13H2,1-2H3.
What are the key properties of 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one?
4-hydroxy-2-methyl-1,2-diphenylpentan-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-1,2-diphenylpentan-3-one is sourced from PubChem (CID 174770449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).