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

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Related Compounds

[4-[4-[4-[2-methoxy-2-[4-(2-methylprop-2-enoyloxy)phenyl]propanoyl]phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 159160095
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
CID 159826182
bis[4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]phenyl]methanone
CID 22978857
2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
CID 159826180
methyl 4-[4-[bis[4-(4-methoxycarbonylphenyl)phenyl]-[4-(4-methylphenyl)phenyl]methyl]phenyl]benzoate
CID 118119644
ethane;hydroxymethyl 4-(3,4-dimethylphenyl)benzoate
CID 91495130
(3,4-dimethylphenyl)-(4-methylphenyl)methanone;1,2,4,5-tetramethylbenzene
CID 159278284
2,2-dimethoxy-2-(4-methylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 54425138
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
4-[4-[2-[4-(4-carboxyphenyl)phenyl]propan-2-yl]phenyl]benzoic acid
CID 158031845

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).