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

C26H30O — CID 131997714

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

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

1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene (PubChem CID 131997714) has the molecular formula C26H30O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
PubChem CID131997714
Molecular FormulaC26H30O
Molecular Weight358.53 g/mol
Exact Mass358.23
IUPAC Name1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene
SMILESCc1ccc(Oc2ccc(C)c(CCc3cc(C)c(C)cc3C)c2)cc1C
InChIInChI=1S/C26H30O/c1-17-7-11-25(15-21(17)5)27-26-12-8-18(2)24(16-26)10-9-23-14-20(4)19(3)13-22(23)6/h7-8,11-16H,9-10H2,1-6H3
InChIKeyMRGKOHVLCPRQLI-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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
The IUPAC name of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene (CID 131997714) is 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
The canonical SMILES for 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene is Cc1ccc(Oc2ccc(C)c(CCc3cc(C)c(C)cc3C)c2)cc1C.
What is the InChIKey of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
The InChIKey is MRGKOHVLCPRQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O/c1-17-7-11-25(15-21(17)5)27-26-12-8-18(2)24(16-26)10-9-23-14-20(4)19(3)13-22(23)6/h7-8,11-16H,9-10H2,1-6H3.
What are the key properties of 1-[2-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene?
1-[2-[5-(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-[5-(3,4-dimethylphenoxy)-2-methylphenyl]ethyl]-2,4,5-trimethylbenzene is sourced from PubChem (CID 131997714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).