2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene

C18H22O — CID 57313101

IUPAC2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
SMILESCCc1cc(C)ccc1Oc1ccc(C)cc1CC
InChIInChI=1S/C18H22O/c1-5-15-11-13(3)7-9-17(15)19-18-10-8-14(4)12-16(18)6-2/h7-12H,5-6H2,1-4H3
InChIKeyDVJFTGPUVBWJNK-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.22
Rot. Bonds4

About 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene

2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene (PubChem CID 57313101) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene.

Molecular Properties

Compound Name2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
PubChem CID57313101
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
SMILESCCc1cc(C)ccc1Oc1ccc(C)cc1CC
InChIInChI=1S/C18H22O/c1-5-15-11-13(3)7-9-17(15)19-18-10-8-14(4)12-16(18)6-2/h7-12H,5-6H2,1-4H3
InChIKeyDVJFTGPUVBWJNK-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butoxy-2-ethyl-4-methylbenzene
CID 20826275
1,2-diethyl-4-methylbenzene;methane
CID 174446118
1-ethoxy-2-ethyl-4-methylbenzene;2-methylbut-2-ene
CID 143611312
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-methylphenyl]methanamine
CID 107926557
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766
2-ethyl-N,N-dihydroxy-4-methylaniline;hydrochloride
CID 175909559
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
1-bromo-2-ethyl-4-methylbenzene;ethane
CID 153401137
[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[2-(2-fluorophenoxy)-5-methylphenyl]methanol
CID 114054543

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene?
The IUPAC name of 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene (CID 57313101) is 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene.
What is the SMILES notation for 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene?
The canonical SMILES for 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene is CCc1cc(C)ccc1Oc1ccc(C)cc1CC.
What is the InChIKey of 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene?
The InChIKey is DVJFTGPUVBWJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-5-15-11-13(3)7-9-17(15)19-18-10-8-14(4)12-16(18)6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene?
2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene has a molecular weight of 254.37 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene is sourced from PubChem (CID 57313101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).