4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene

C34H40O — CID 159088211

IUPAC4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
SMILESCCC(C)(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1.Cc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26.C14H14O/c1-7-20(6,18-10-8-14(2)16(4)12-18)19-11-9-15(3)17(5)13-19;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h8-13H,7H2,1-6H3;3-10H,1-2H3
InChIKeyKBSJZJVMRQZLPC-UHFFFAOYSA-N
MW464.69 g/mol
LogP9.73
Rot. Bonds5

About 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene

4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene (PubChem CID 159088211) has the molecular formula C34H40O and a molecular weight of 464.69 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
PubChem CID159088211
Molecular FormulaC34H40O
Molecular Weight464.69 g/mol
Exact Mass464.31
IUPAC Name4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene
SMILESCCC(C)(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1.Cc1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26.C14H14O/c1-7-20(6,18-10-8-14(2)16(4)12-18)19-11-9-15(3)17(5)13-19;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h8-13H,7H2,1-6H3;3-10H,1-2H3
InChIKeyKBSJZJVMRQZLPC-UHFFFAOYSA-N
XLogP9.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene?
The IUPAC name of 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene (CID 159088211) is 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene.
What is the SMILES notation for 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene?
The canonical SMILES for 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene is CCC(C)(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1.Cc1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene?
The InChIKey is KBSJZJVMRQZLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.C14H14O/c1-7-20(6,18-10-8-14(2)16(4)12-18)19-11-9-15(3)17(5)13-19;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h8-13H,7H2,1-6H3;3-10H,1-2H3.
What are the key properties of 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene?
4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene has a molecular weight of 464.69 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;1-methyl-4-(4-methylphenoxy)benzene is sourced from PubChem (CID 159088211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).