1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene

C18H22O — CID 71382789

IUPAC1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
SMILESCc1ccc(C)c(Oc2cc(C)c(C)c(C)c2C)c1
InChIInChI=1S/C18H22O/c1-11-7-8-12(2)17(9-11)19-18-10-13(3)14(4)15(5)16(18)6/h7-10H,1-6H3
InChIKeyIUTLVLWDQWITAE-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.33
Rot. Bonds2

About 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene

1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene (PubChem CID 71382789) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
PubChem CID71382789
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
SMILESCc1ccc(C)c(Oc2cc(C)c(C)c(C)c2C)c1
InChIInChI=1S/C18H22O/c1-11-7-8-12(2)17(9-11)19-18-10-13(3)14(4)15(5)16(18)6/h7-10H,1-6H3
InChIKeyIUTLVLWDQWITAE-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-tetramethyl-5-(2-methyl-5-propan-2-ylphenoxy)benzene
CID 71382787
4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
CID 18994510
1-(2,5-dimethylphenoxy)-2,3-dimethylbenzene
CID 19792455
3-(2,5-dimethylphenoxy)-4-methylbenzaldehyde
CID 105405428
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
2-(2,5-dimethylphenoxy)-3-methylaniline
CID 115550838
2-(2,5-dimethylphenoxy)-6-fluoroaniline
CID 54920394
bis(2,5-dimethylphenoxy)-disulfidophosphanium
CID 101310913
1-chloro-2-(chloromethyl)-3-(2,5-dimethylphenoxy)benzene
CID 28947175
[2-(2,5-dimethylphenoxy)-3-methylphenyl]methanamine
CID 107105904

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene?
The IUPAC name of 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene (CID 71382789) is 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene is Cc1ccc(C)c(Oc2cc(C)c(C)c(C)c2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene?
The InChIKey is IUTLVLWDQWITAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-11-7-8-12(2)17(9-11)19-18-10-13(3)14(4)15(5)16(18)6/h7-10H,1-6H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene?
1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene has a molecular weight of 254.37 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene is sourced from PubChem (CID 71382789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).