3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one

C17H18O2 — CID 3059013

IUPAC3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKeyDEOOQAQBZGVGIV-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds4

About 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one

3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one (PubChem CID 3059013) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one.

Molecular Properties

Compound Name3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one
PubChem CID3059013
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3
InChIKeyDEOOQAQBZGVGIV-UHFFFAOYSA-N
XLogP3.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
The IUPAC name of 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one (CID 3059013) is 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one.
What is the SMILES notation for 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
The canonical SMILES for 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one is CC(C)(C(=O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
The InChIKey is DEOOQAQBZGVGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(2,15(18)13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3.
What are the key properties of 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one?
3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one is sourced from PubChem (CID 3059013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).