1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one

C31H30O2 — CID 158724320

IUPAC1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one
SMILESCOC(C)(C(=O)c1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H30O2/c1-21-6-18-29(19-7-21)31(4,33-5)30(32)27-16-14-25(15-17-27)24-10-12-26(13-11-24)28-9-8-22(2)23(3)20-28/h6-20H,1-5H3
InChIKeyDWSAEAIPCQWTEH-UHFFFAOYSA-N
MW434.58 g/mol
LogP7.69
Rot. Bonds6

About 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one

1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one (PubChem CID 158724320) has the molecular formula C31H30O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one
PubChem CID158724320
Molecular FormulaC31H30O2
Molecular Weight434.58 g/mol
Exact Mass434.22
IUPAC Name1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one
SMILESCOC(C)(C(=O)c1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1)c1ccc(C)cc1
InChIInChI=1S/C31H30O2/c1-21-6-18-29(19-7-21)31(4,33-5)30(32)27-16-14-25(15-17-27)24-10-12-26(13-11-24)28-9-8-22(2)23(3)20-28/h6-20H,1-5H3
InChIKeyDWSAEAIPCQWTEH-UHFFFAOYSA-N
XLogP7.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one (CID 158724320) is 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one is COC(C)(C(=O)c1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one?
The InChIKey is DWSAEAIPCQWTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O2/c1-21-6-18-29(19-7-21)31(4,33-5)30(32)27-16-14-25(15-17-27)24-10-12-26(13-11-24)28-9-8-22(2)23(3)20-28/h6-20H,1-5H3.
What are the key properties of 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one?
1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one has a molecular weight of 434.58 g/mol, XLogP of 7.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 158724320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).