2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene

C26H34O4 — CID 19906474

IUPAC2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCCCCOc2ccc(CC=C)cc2OC)c(OC)c1
InChIInChI=1S/C26H34O4/c1-5-11-21-13-15-23(25(19-21)27-3)29-17-9-7-8-10-18-30-24-16-14-22(12-6-2)20-26(24)28-4/h5-6,13-16,19-20H,1-2,7-12,17-18H2,3-4H3
InChIKeyOXZIZQWIKNXAKO-UHFFFAOYSA-N
MW410.55 g/mol
LogP6.18
Rot. Bonds15

About 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene

2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene (PubChem CID 19906474) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
PubChem CID19906474
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCCCCOc2ccc(CC=C)cc2OC)c(OC)c1
InChIInChI=1S/C26H34O4/c1-5-11-21-13-15-23(25(19-21)27-3)29-17-9-7-8-10-18-30-24-16-14-22(12-6-2)20-26(24)28-4/h5-6,13-16,19-20H,1-2,7-12,17-18H2,3-4H3
InChIKeyOXZIZQWIKNXAKO-UHFFFAOYSA-N
XLogP6.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284434
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene?
The IUPAC name of 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene (CID 19906474) is 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene.
What is the SMILES notation for 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene?
The canonical SMILES for 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene is C=CCc1ccc(OCCCCCCOc2ccc(CC=C)cc2OC)c(OC)c1.
What is the InChIKey of 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene?
The InChIKey is OXZIZQWIKNXAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c1-5-11-21-13-15-23(25(19-21)27-3)29-17-9-7-8-10-18-30-24-16-14-22(12-6-2)20-26(24)28-4/h5-6,13-16,19-20H,1-2,7-12,17-18H2,3-4H3.
What are the key properties of 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene?
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene has a molecular weight of 410.55 g/mol, XLogP of 6.18, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene is sourced from PubChem (CID 19906474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).