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

C14H22O3 — CID 58462382

IUPAC1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
SMILESCCCOCCOCCOc1ccc(C)cc1
InChIInChI=1S/C14H22O3/c1-3-8-15-9-10-16-11-12-17-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyFIWIMQFOXCEBHN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.82
Rot. Bonds9

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

1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene (PubChem CID 58462382) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
PubChem CID58462382
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
SMILESCCCOCCOCCOc1ccc(C)cc1
InChIInChI=1S/C14H22O3/c1-3-8-15-9-10-16-11-12-17-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyFIWIMQFOXCEBHN-UHFFFAOYSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.82
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-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
1-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-4-methylbenzene
CID 104567700
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
dioxido-[4-(2-propoxyethoxy)phenoxy]borane
CID 86756814
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-[2-(2-methoxyethoxy)ethoxy]-3-[2-(4-methylphenoxy)ethoxy]benzene
CID 134579491

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene?
The IUPAC name of 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene (CID 58462382) is 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene.
What is the SMILES notation for 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene?
The canonical SMILES for 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene is CCCOCCOCCOc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene?
The InChIKey is FIWIMQFOXCEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-8-15-9-10-16-11-12-17-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene?
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene has a molecular weight of 238.33 g/mol, XLogP of 2.82, 9 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-propoxyethoxy)ethoxy]benzene is sourced from PubChem (CID 58462382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).