[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone

C27H28O3 — CID 145003434

IUPAC[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(OC(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C27H28O3/c1-18(2)19-6-8-20(9-7-19)25(28)21-10-12-22(13-11-21)26(29)23-14-16-24(17-15-23)30-27(3,4)5/h6-18H,1-5H3
InChIKeyGUHOUSKGDRAWBE-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.45
Rot. Bonds6

About [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone

[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone (PubChem CID 145003434) has the molecular formula C27H28O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
PubChem CID145003434
Molecular FormulaC27H28O3
Molecular Weight400.52 g/mol
Exact Mass400.20
IUPAC Name[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(OC(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C27H28O3/c1-18(2)19-6-8-20(9-7-19)25(28)21-10-12-22(13-11-21)26(29)23-14-16-24(17-15-23)30-27(3,4)5/h6-18H,1-5H3
InChIKeyGUHOUSKGDRAWBE-UHFFFAOYSA-N
XLogP6.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005376
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
tert-butyl 2-methyl-2-(4-propan-2-ylphenoxy)butanoate
CID 170191000
(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
1-(2,3-dimethylbut-3-en-2-yloxy)-4-propan-2-ylbenzene
CID 123728884
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400
N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
CID 21486683
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone (CID 145003434) is [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(OC(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is GUHOUSKGDRAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O3/c1-18(2)19-6-8-20(9-7-19)25(28)21-10-12-22(13-11-21)26(29)23-14-16-24(17-15-23)30-27(3,4)5/h6-18H,1-5H3.
What are the key properties of [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone?
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 400.52 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 145003434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).