2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone

C17H18O3 — CID 141287480

IUPAC2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone
SMILESCC(C)(O)c1cccc(C(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-17(2,20)14-10-6-9-13(11-14)16(19)15(18)12-7-4-3-5-8-12/h3-11,15,18,20H,1-2H3
InChIKeyHKCSLWVCKZNWAT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.83
Rot. Bonds4

About 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone

2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone (PubChem CID 141287480) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone
PubChem CID141287480
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone
SMILESCC(C)(O)c1cccc(C(=O)C(O)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-17(2,20)14-10-6-9-13(11-14)16(19)15(18)12-7-4-3-5-8-12/h3-11,15,18,20H,1-2H3
InChIKeyHKCSLWVCKZNWAT-UHFFFAOYSA-N
XLogP2.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone (CID 141287480) is 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone is CC(C)(O)c1cccc(C(=O)C(O)c2ccccc2)c1.
What is the InChIKey of 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone?
The InChIKey is HKCSLWVCKZNWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-17(2,20)14-10-6-9-13(11-14)16(19)15(18)12-7-4-3-5-8-12/h3-11,15,18,20H,1-2H3.
What are the key properties of 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone?
2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone has a molecular weight of 270.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenylethanone is sourced from PubChem (CID 141287480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).