1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene

C22H30O4 — CID 91223040

IUPAC1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene
SMILESCOc1ccc(OCCOC(C)Oc2ccc(C(C)C(C)C)cc2)cc1
InChIInChI=1S/C22H30O4/c1-16(2)17(3)19-6-8-22(9-7-19)26-18(4)24-14-15-25-21-12-10-20(23-5)11-13-21/h6-13,16-18H,14-15H2,1-5H3
InChIKeyNUCNXNYVIMOAIL-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.28
Rot. Bonds10

About 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene

1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene (PubChem CID 91223040) has the molecular formula C22H30O4 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene
PubChem CID91223040
Molecular FormulaC22H30O4
Molecular Weight358.48 g/mol
Exact Mass358.21
IUPAC Name1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene
SMILESCOc1ccc(OCCOC(C)Oc2ccc(C(C)C(C)C)cc2)cc1
InChIInChI=1S/C22H30O4/c1-16(2)17(3)19-6-8-22(9-7-19)26-18(4)24-14-15-25-21-12-10-20(23-5)11-13-21/h6-13,16-18H,14-15H2,1-5H3
InChIKeyNUCNXNYVIMOAIL-UHFFFAOYSA-N
XLogP5.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 146697935
1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
CID 58185940
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249
5-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,2,3-trimethoxybenzene
CID 20722011
1-methoxy-4-(3-methylpentan-2-yl)benzene
CID 138976766
2-[1-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]ethyl 4-methoxybenzoate
CID 123920896
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene (CID 91223040) is 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene is COc1ccc(OCCOC(C)Oc2ccc(C(C)C(C)C)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene?
The InChIKey is NUCNXNYVIMOAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O4/c1-16(2)17(3)19-6-8-22(9-7-19)26-18(4)24-14-15-25-21-12-10-20(23-5)11-13-21/h6-13,16-18H,14-15H2,1-5H3.
What are the key properties of 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene?
1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene has a molecular weight of 358.48 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-[1-[4-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 91223040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).