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

C18H22O4 — CID 146697935

IUPAC1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene
SMILESCOc1ccc(OCCOC(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O4/c1-14-4-6-18(7-5-14)22-15(2)20-12-13-21-17-10-8-16(19-3)9-11-17/h4-11,15H,12-13H2,1-3H3
InChIKeyQQAKBXIYPZTLNM-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.82
Rot. Bonds8

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

1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene (PubChem CID 146697935) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene
PubChem CID146697935
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene
SMILESCOc1ccc(OCCOC(C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H22O4/c1-14-4-6-18(7-5-14)22-15(2)20-12-13-21-17-10-8-16(19-3)9-11-17/h4-11,15H,12-13H2,1-3H3
InChIKeyQQAKBXIYPZTLNM-UHFFFAOYSA-N
XLogP3.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene (CID 146697935) is 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene is COc1ccc(OCCOC(C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is QQAKBXIYPZTLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-14-4-6-18(7-5-14)22-15(2)20-12-13-21-17-10-8-16(19-3)9-11-17/h4-11,15H,12-13H2,1-3H3.
What are the key properties of 1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene?
1-methoxy-4-[2-[1-(4-methylphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 302.37 g/mol, XLogP of 3.82, 8 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-methylphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 146697935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).