2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene

C18H22O2 — CID 69386639

IUPAC2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene
SMILESCCc1ccc(OC(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22O2/c1-5-16-8-10-17(11-9-16)19-15(4)20-18-12-13(2)6-7-14(18)3/h6-12,15H,5H2,1-4H3
InChIKeyULEKUSAGZPDPMQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.67
Rot. Bonds5

About 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene

2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene (PubChem CID 69386639) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene
PubChem CID69386639
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene
SMILESCCc1ccc(OC(C)Oc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H22O2/c1-5-16-8-10-17(11-9-16)19-15(4)20-18-12-13(2)6-7-14(18)3/h6-12,15H,5H2,1-4H3
InChIKeyULEKUSAGZPDPMQ-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129
1-(2,5-dimethylphenoxy)propan-1-amine
CID 70392108
bis(2,5-dimethylphenoxy)-disulfidophosphanium
CID 101310913
2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132655449
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
(2R)-N-(2,5-dimethylphenyl)-2-(4-ethylphenoxy)butanamide
CID 99133056
2-(2,5-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62570737
1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2288865
2-(2-chloro-4-methylphenoxy)-1-(4-ethylphenyl)propan-1-amine
CID 63501091
ethane;1-ethyl-4-methoxybenzene;2-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 142828358
1-[4-(2,5-dimethylphenoxy)phenyl]-N-ethylethanamine
CID 43285455
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene?
The IUPAC name of 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene (CID 69386639) is 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene.
What is the SMILES notation for 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene?
The canonical SMILES for 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene is CCc1ccc(OC(C)Oc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene?
The InChIKey is ULEKUSAGZPDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-16-8-10-17(11-9-16)19-15(4)20-18-12-13(2)6-7-14(18)3/h6-12,15H,5H2,1-4H3.
What are the key properties of 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene?
2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethylphenoxy)ethoxy]-1,4-dimethylbenzene is sourced from PubChem (CID 69386639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).