(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone

C40H38O4 — CID 162436505

IUPAC(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H38O4/c1-39(2,3)33-19-11-31(12-20-33)37(41)29-7-9-30(10-8-29)38(42)32-17-23-35(24-18-32)43-34-21-13-27(14-22-34)28-15-25-36(26-16-28)44-40(4,5)6/h7-26H,1-6H3
InChIKeyQYFFLTZLLUEYIU-UHFFFAOYSA-N
MW582.74 g/mol
LogP10.08
Rot. Bonds8

About (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone

(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone (PubChem CID 162436505) has the molecular formula C40H38O4 and a molecular weight of 582.74 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
PubChem CID162436505
Molecular FormulaC40H38O4
Molecular Weight582.74 g/mol
Exact Mass582.28
IUPAC Name(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
SMILESCC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H38O4/c1-39(2,3)33-19-11-31(12-20-33)37(41)29-7-9-30(10-8-29)38(42)32-17-23-35(24-18-32)43-34-21-13-27(14-22-34)28-15-25-36(26-16-28)44-40(4,5)6/h7-26H,1-6H3
InChIKeyQYFFLTZLLUEYIU-UHFFFAOYSA-N
XLogP10.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.74
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone with MolForge

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Related Compounds

bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
4-[4-[4-[4-[3-[4-[4-(4-tert-butylphenoxy)benzoyl]phenoxy]-2,3-dimethylbutan-2-yl]phenyl]phenoxy]benzoyl]phenolate
CID 153361597
(4-tert-butylphenyl)-[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]methanone
CID 145044888
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
CID 145003401
[4-[4-[4-[4-(3-methylpentan-3-yloxy)phenyl]phenoxy]benzoyl]phenyl]-[4-(3-methylpentan-3-yl)phenyl]methanone
CID 134502787
2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one
CID 155206857
1-[4-[4-(4-tert-butylphenoxy)phenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 20643573
[4-(dimethylamino)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005383
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone (CID 162436505) is (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone is CC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone?
The InChIKey is QYFFLTZLLUEYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38O4/c1-39(2,3)33-19-11-31(12-20-33)37(41)29-7-9-30(10-8-29)38(42)32-17-23-35(24-18-32)43-34-21-13-27(14-22-34)28-15-25-36(26-16-28)44-40(4,5)6/h7-26H,1-6H3.
What are the key properties of (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone?
(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone has a molecular weight of 582.74 g/mol, XLogP of 10.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone is sourced from PubChem (CID 162436505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).