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

C28H30O4 — CID 145003401

IUPAC[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
SMILESCOC(C)(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(OC(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C28H30O4/c1-27(2,3)32-24-17-13-22(14-18-24)26(30)20-9-7-19(8-10-20)25(29)21-11-15-23(16-12-21)28(4,5)31-6/h7-18H,1-6H3
InChIKeyKEPKLAQHGZWPKH-UHFFFAOYSA-N
MW430.54 g/mol
LogP6.21
Rot. Bonds7

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

[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone (PubChem CID 145003401) has the molecular formula C28H30O4 and a molecular weight of 430.54 g/mol. Its IUPAC name is [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
PubChem CID145003401
Molecular FormulaC28H30O4
Molecular Weight430.54 g/mol
Exact Mass430.21
IUPAC Name[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone
SMILESCOC(C)(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(OC(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C28H30O4/c1-27(2,3)32-24-17-13-22(14-18-24)26(30)20-9-7-19(8-10-20)25(29)21-11-15-23(16-12-21)28(4,5)31-6/h7-18H,1-6H3
InChIKeyKEPKLAQHGZWPKH-UHFFFAOYSA-N
XLogP6.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-methoxypropan-2-yl)benzoyl]benzaldehyde
CID 145003419
(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
[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)benzoic acid
CID 18174432
[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
(2,6-dimethoxyphenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 141016567
N-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanesulfonamide
CID 21486683
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
(2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005376

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone?
The IUPAC name of [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone (CID 145003401) is [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone.
What is the SMILES notation for [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone?
The canonical SMILES for [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone is COC(C)(C)c1ccc(C(=O)c2ccc(C(=O)c3ccc(OC(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone?
The InChIKey is KEPKLAQHGZWPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O4/c1-27(2,3)32-24-17-13-22(14-18-24)26(30)20-9-7-19(8-10-20)25(29)21-11-15-23(16-12-21)28(4,5)31-6/h7-18H,1-6H3.
What are the key properties of [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone?
[4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone has a molecular weight of 430.54 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypropan-2-yl)phenyl]-[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]methanone is sourced from PubChem (CID 145003401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).