1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene

C18H22O3 — CID 22218704

IUPAC1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
SMILESCc1ccc(OCCOCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O3/c1-15-3-7-17(8-4-15)20-13-11-19-12-14-21-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyHYCNFZHBBGXTAG-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.78
Rot. Bonds8

About 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene

1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene (PubChem CID 22218704) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
PubChem CID22218704
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
SMILESCc1ccc(OCCOCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O3/c1-15-3-7-17(8-4-15)20-13-11-19-12-14-21-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKeyHYCNFZHBBGXTAG-UHFFFAOYSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.78
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-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491
2-[2-[2-(4-methylphenoxy)ethoxy]ethoxymethyl]-1-sulfidoazirine
CID 168975965
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
3-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethyl]-1,2-oxazole
CID 134579533
1-methyl-4-propoxybenzene;yttrium
CID 59325724

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene (CID 22218704) is 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene is Cc1ccc(OCCOCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is HYCNFZHBBGXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-15-3-7-17(8-4-15)20-13-11-19-12-14-21-18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene?
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 286.37 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 22218704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).