1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one

C23H22O2 — CID 21331743

IUPAC1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one
SMILESCc1cc(C(=O)CC(c2ccccc2)c2ccccc2)c(C)cc1O
InChIInChI=1S/C23H22O2/c1-16-14-22(24)17(2)13-20(16)23(25)15-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,21,24H,15H2,1-2H3
InChIKeyRGNHGGKPTXEBQU-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.41
Rot. Bonds5

About 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one

1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one (PubChem CID 21331743) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one
PubChem CID21331743
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one
SMILESCc1cc(C(=O)CC(c2ccccc2)c2ccccc2)c(C)cc1O
InChIInChI=1S/C23H22O2/c1-16-14-22(24)17(2)13-20(16)23(25)15-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,21,24H,15H2,1-2H3
InChIKeyRGNHGGKPTXEBQU-UHFFFAOYSA-N
XLogP5.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
CID 81251881
(3S)-3-(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 2249230
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
(3R)-3-(3-hydroxyphenyl)-1,3-diphenylpropan-1-one
CID 102451950
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
CID 106834835
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
3-(4-bromophenyl)-1-(2,6-dichloro-4-pyridinyl)-3-phenylpropan-1-one
CID 87237114
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 23821920

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one (CID 21331743) is 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one is Cc1cc(C(=O)CC(c2ccccc2)c2ccccc2)c(C)cc1O.
What is the InChIKey of 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one?
The InChIKey is RGNHGGKPTXEBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-16-14-22(24)17(2)13-20(16)23(25)15-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,21,24H,15H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one?
1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one has a molecular weight of 330.43 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 21331743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).