1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene

C26H30O — CID 131997847

IUPAC1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
SMILESCc1ccc(Oc2ccc(CCc3cc(C)c(C)cc3C)c(C)c2)cc1C
InChIInChI=1S/C26H30O/c1-17-7-11-25(15-20(17)4)27-26-12-10-23(22(6)16-26)8-9-24-14-19(3)18(2)13-21(24)5/h7,10-16H,8-9H2,1-6H3
InChIKeySZVGFZPUCDRRTL-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.11
Rot. Bonds5

About 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene

1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene (PubChem CID 131997847) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
PubChem CID131997847
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
SMILESCc1ccc(Oc2ccc(CCc3cc(C)c(C)cc3C)c(C)c2)cc1C
InChIInChI=1S/C26H30O/c1-17-7-11-25(15-20(17)4)27-26-12-10-23(22(6)16-26)8-9-24-14-19(3)18(2)13-21(24)5/h7,10-16H,8-9H2,1-6H3
InChIKeySZVGFZPUCDRRTL-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
CID 131997714
1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylbenzene
CID 170268037
4-(3,4-dimethylphenoxy)-1-[2-[4-[2-[4-[2-[4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl]ethyl]-3-methylphenyl]propan-2-yl]-2-methylphenyl]ethyl]-2-methylbenzene
CID 123849934
4-(4-bromophenoxy)-1,2-dimethylbenzene
CID 169336658
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
[3-[[2-(3,4-dimethylphenoxy)-4-methyl-5-[2-(2,4,5-trimethylphenyl)ethyl]phenyl]methyl]-4-methylphenyl]-(3,4-dimethylphenyl)methanone
CID 154967697
2-[4-(3,5-dimethoxyphenoxy)-2-methylphenyl]ethanamine
CID 63815390
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
[2-methyl-4-(4-methylphenoxy)phenyl]methanol
CID 62134213
2-[4-(4-chloro-3-fluorophenoxy)-2-methylphenyl]ethanamine
CID 82727632
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
1,2-dimethyl-3-[4-(3-methyl-4-pentylphenoxy)phenoxy]benzene
CID 167138417

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
The IUPAC name of 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene (CID 131997847) is 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
The canonical SMILES for 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene is Cc1ccc(Oc2ccc(CCc3cc(C)c(C)cc3C)c(C)c2)cc1C.
What is the InChIKey of 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
The InChIKey is SZVGFZPUCDRRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-17-7-11-25(15-20(17)4)27-26-12-10-23(22(6)16-26)8-9-24-14-19(3)18(2)13-21(24)5/h7,10-16H,8-9H2,1-6H3.
What are the key properties of 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene has a molecular weight of 358.53 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene is sourced from PubChem (CID 131997847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).