1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene

C18H22O3 — CID 2292010

IUPAC1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene
SMILESCCc1ccccc1OCCOc1ccc(C)cc1OC
InChIInChI=1S/C18H22O3/c1-4-15-7-5-6-8-16(15)20-11-12-21-17-10-9-14(2)13-18(17)19-3/h5-10,13H,4,11-12H2,1-3H3
InChIKeyYNEYVPBKUHIHIC-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.02
Rot. Bonds7

About 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene

1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene (PubChem CID 2292010) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene
PubChem CID2292010
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene
SMILESCCc1ccccc1OCCOc1ccc(C)cc1OC
InChIInChI=1S/C18H22O3/c1-4-15-7-5-6-8-16(15)20-11-12-21-17-10-9-14(2)13-18(17)19-3/h5-10,13H,4,11-12H2,1-3H3
InChIKeyYNEYVPBKUHIHIC-UHFFFAOYSA-N
XLogP4.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyleugenol
CID 7127
(-)-Secoisolariciresinol
CID 65373
Etofenprox
CID 71245
Eugenyl Acetate
CID 7136
Methylisoeugenol
CID 637776
Propenyl Guaethol
CID 5354280
precocene II
CID 12565
Terameprocol
CID 476861
Isoeugenyl methyl ether
CID 1549045
Isoeugenyl acetate
CID 876160
1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
3,4-Dimethoxystyrene
CID 61400

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene (CID 2292010) is 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene is CCc1ccccc1OCCOc1ccc(C)cc1OC.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene?
The InChIKey is YNEYVPBKUHIHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-4-15-7-5-6-8-16(15)20-11-12-21-17-10-9-14(2)13-18(17)19-3/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene?
1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene has a molecular weight of 286.37 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 2292010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).