1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene

C19H24O3 — CID 2288865

IUPAC1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
SMILESCCc1ccc(OCCCOc2ccc(C)cc2OC)cc1
InChIInChI=1S/C19H24O3/c1-4-16-7-9-17(10-8-16)21-12-5-13-22-18-11-6-15(2)14-19(18)20-3/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyHDYHFMSQYBXIAL-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.41
Rot. Bonds8

About 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene

1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene (PubChem CID 2288865) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
PubChem CID2288865
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
SMILESCCc1ccc(OCCCOc2ccc(C)cc2OC)cc1
InChIInChI=1S/C19H24O3/c1-4-16-7-9-17(10-8-16)21-12-5-13-22-18-11-6-15(2)14-19(18)20-3/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyHDYHFMSQYBXIAL-UHFFFAOYSA-N
XLogP4.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.41
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

1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
4-[5-(4-ethylphenoxy)pentoxy]-3-methoxy-N,N-dimethylbenzamide
CID 142639008
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
N-[(4-butoxyphenyl)methyl]-2-methoxy-5-methylaniline
CID 39422641
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxyaniline
CID 82097195

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene (CID 2288865) is 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene is CCc1ccc(OCCCOc2ccc(C)cc2OC)cc1.
What is the InChIKey of 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
The InChIKey is HDYHFMSQYBXIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-4-16-7-9-17(10-8-16)21-12-5-13-22-18-11-6-15(2)14-19(18)20-3/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene?
1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene has a molecular weight of 300.40 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenoxy)propoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 2288865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).