1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one

C25H26O — CID 135032816

IUPAC1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-25(2,3)22-16-14-21(15-17-22)24(26)23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-17,23H,18H2,1-3H3
InChIKeyQVXSZKFEECLXDS-UHFFFAOYSA-N
MW342.48 g/mol
LogP6.19
Rot. Bonds5

About 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one

1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one (PubChem CID 135032816) has the molecular formula C25H26O and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
PubChem CID135032816
Molecular FormulaC25H26O
Molecular Weight342.48 g/mol
Exact Mass342.20
IUPAC Name1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
SMILESCC(C)(C)c1ccc(C(=O)C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O/c1-25(2,3)22-16-14-21(15-17-22)24(26)23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-17,23H,18H2,1-3H3
InChIKeyQVXSZKFEECLXDS-UHFFFAOYSA-N
XLogP6.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.48
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 95560671
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
CID 143696076
1,4-bis(4-tert-butylphenyl)-2,3-diphenylbutane-1,4-dione
CID 102447395
4-[2-(4-tert-butylphenyl)-1-carboxyethyl]benzoic acid
CID 82140106
(2S)-2,3-diphenylpropanoic acid
CID 737125
1-(4-tert-butylphenyl)-4-(dimethylamino)-2-phenylpentan-1-one;prop-1-ene
CID 154665958
(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 7381172
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
(3R)-4-(4-tert-butylphenyl)-1,3-diphenylbutan-1-one
CID 101258013
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 104845048
(2S)-2,3-diphenylpropanoate
CID 6993748

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one (CID 135032816) is 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one is CC(C)(C)c1ccc(C(=O)C(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one?
The InChIKey is QVXSZKFEECLXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O/c1-25(2,3)22-16-14-21(15-17-22)24(26)23(20-12-8-5-9-13-20)18-19-10-6-4-7-11-19/h4-17,23H,18H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one?
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one has a molecular weight of 342.48 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one is sourced from PubChem (CID 135032816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).