[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone

C20H24O2 — CID 141016400

IUPAC[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(OC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C20H24O2/c1-13-11-14(2)18(15(3)12-13)19(21)16-7-9-17(10-8-16)22-20(4,5)6/h7-12H,1-6H3
InChIKeyCXHQOTMNRRZVLQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.02
Rot. Bonds3

About [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone

[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 141016400) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID141016400
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(OC(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C20H24O2/c1-13-11-14(2)18(15(3)12-13)19(21)16-7-9-17(10-8-16)22-20(4,5)6/h7-12H,1-6H3
InChIKeyCXHQOTMNRRZVLQ-UHFFFAOYSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone with MolForge

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Related Compounds

(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
tris[4-(2,4,6-trimethylbenzoyl)phenoxy] phosphate
CID 172553590
(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005376
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
(4-tert-butyl-2,3,5,6-tetrafluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 144950312
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
(2,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005353

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone (CID 141016400) is [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccc(OC(C)(C)C)cc2)c(C)c1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is CXHQOTMNRRZVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-13-11-14(2)18(15(3)12-13)19(21)16-7-9-17(10-8-16)22-20(4,5)6/h7-12H,1-6H3.
What are the key properties of [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone?
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 296.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 141016400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).