1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one

C30H35FO — CID 143696076

IUPAC1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
SMILESCCC(CC)c1ccc(CC(C(=O)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H35FO/c1-6-22(7-2)23-10-8-21(9-11-23)20-28(24-14-18-27(31)19-15-24)29(32)25-12-16-26(17-13-25)30(3,4)5/h8-19,22,28H,6-7,20H2,1-5H3
InChIKeyFWXZJNKENLMRQJ-UHFFFAOYSA-N
MW430.61 g/mol
LogP8.24
Rot. Bonds8

About 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one

1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one (PubChem CID 143696076) has the molecular formula C30H35FO and a molecular weight of 430.61 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
PubChem CID143696076
Molecular FormulaC30H35FO
Molecular Weight430.61 g/mol
Exact Mass430.27
IUPAC Name1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
SMILESCCC(CC)c1ccc(CC(C(=O)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C30H35FO/c1-6-22(7-2)23-10-8-21(9-11-23)20-28(24-14-18-27(31)19-15-24)29(32)25-12-16-26(17-13-25)30(3,4)5/h8-19,22,28H,6-7,20H2,1-5H3
InChIKeyFWXZJNKENLMRQJ-UHFFFAOYSA-N
XLogP8.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
CID 68577173
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
4-[2-(4-tert-butylphenyl)-1-carboxyethyl]benzoic acid
CID 82140106
methyl 4-[3-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)propanoyl]benzoate
CID 143696037
2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
CID 135032887
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
2-bromo-1-(4-tert-butylphenyl)butan-1-one
CID 63386110
2-chloro-1-(4-fluorophenyl)butan-1-one
CID 15459067
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
N-(2-cyanopropan-2-yl)-2,3-bis(4-fluorophenyl)propanamide
CID 110615037

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one (CID 143696076) is 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one is CCC(CC)c1ccc(CC(C(=O)c2ccc(C(C)(C)C)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one?
The InChIKey is FWXZJNKENLMRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FO/c1-6-22(7-2)23-10-8-21(9-11-23)20-28(24-14-18-27(31)19-15-24)29(32)25-12-16-26(17-13-25)30(3,4)5/h8-19,22,28H,6-7,20H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one?
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one has a molecular weight of 430.61 g/mol, XLogP of 8.24, 8 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-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one is sourced from PubChem (CID 143696076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).