1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene

C13H20O4 — CID 102074732

IUPAC1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
SMILESCOCCOCCOCc1ccc(OC)cc1
InChIInChI=1S/C13H20O4/c1-14-7-8-16-9-10-17-11-12-3-5-13(15-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyVETGXUSGZXKYQW-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.87
Rot. Bonds9

About 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene

1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene (PubChem CID 102074732) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
PubChem CID102074732
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
SMILESCOCCOCCOCc1ccc(OC)cc1
InChIInChI=1S/C13H20O4/c1-14-7-8-16-9-10-17-11-12-3-5-13(15-2)6-4-12/h3-6H,7-11H2,1-2H3
InChIKeyVETGXUSGZXKYQW-UHFFFAOYSA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(2-methylsulfanyloxyethoxymethyl)benzene
CID 143732018
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
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CID 102087372
4-[2-[(4-methoxyphenyl)methoxy]ethoxy]aniline
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CID 22157586
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
4-[2-(2-methoxyethoxy)ethoxymethyl]benzonitrile
CID 104561665
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CID 162744243
1-hexoxy-4-(2-methoxyethoxymethyl)benzene
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CID 24799162

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene (CID 102074732) is 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene is COCCOCCOCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
The InChIKey is VETGXUSGZXKYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-14-7-8-16-9-10-17-11-12-3-5-13(15-2)6-4-12/h3-6H,7-11H2,1-2H3.
What are the key properties of 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene?
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene has a molecular weight of 240.30 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene is sourced from PubChem (CID 102074732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).