1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene

C20H24O4 — CID 58185940

IUPAC1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
SMILESC=C(C)c1ccc(OC(C)OCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O4/c1-15(2)17-5-7-20(8-6-17)24-16(3)22-13-14-23-19-11-9-18(21-4)10-12-19/h5-12,16H,1,13-14H2,2-4H3
InChIKeyQIQMYVURKAFXDT-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.55
Rot. Bonds9

About 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene

1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene (PubChem CID 58185940) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
PubChem CID58185940
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene
SMILESC=C(C)c1ccc(OC(C)OCCOc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H24O4/c1-15(2)17-5-7-20(8-6-17)24-16(3)22-13-14-23-19-11-9-18(21-4)10-12-19/h5-12,16H,1,13-14H2,2-4H3
InChIKeyQIQMYVURKAFXDT-UHFFFAOYSA-N
XLogP4.55
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.55
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-(3-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 91223040
1-prop-1-en-2-yl-4-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 139750632
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
2-[1-(4-ethylphenoxy)ethoxy]ethyl 4-methoxybenzoate
CID 140648608
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
CID 19792877
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene
CID 139881216
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
2-[1-[4-(2,5-dimethylhexan-3-yl)phenoxy]ethoxy]ethyl 4-methoxybenzoate
CID 123920896

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene (CID 58185940) is 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene is C=C(C)c1ccc(OC(C)OCCOc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene?
The InChIKey is QIQMYVURKAFXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-15(2)17-5-7-20(8-6-17)24-16(3)22-13-14-23-19-11-9-18(21-4)10-12-19/h5-12,16H,1,13-14H2,2-4H3.
What are the key properties of 1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene?
1-methoxy-4-[2-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene has a molecular weight of 328.41 g/mol, XLogP of 4.55, 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-[1-(4-prop-1-en-2-ylphenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 58185940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).