1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene

C25H26O4 — CID 54397178

IUPAC1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1
InChIInChI=1S/C25H26O4/c1-4-5-19-10-15-24(28-17-20-6-11-22(26-2)12-7-20)25(16-19)29-18-21-8-13-23(27-3)14-9-21/h4,6-16H,1,5,17-18H2,2-3H3
InChIKeyVKUZAFXHDXDWCH-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.59
Rot. Bonds10

About 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene

1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene (PubChem CID 54397178) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
PubChem CID54397178
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Name1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1
InChIInChI=1S/C25H26O4/c1-4-5-19-10-15-24(28-17-20-6-11-22(26-2)12-7-20)25(16-19)29-18-21-8-13-23(27-3)14-9-21/h4,6-16H,1,5,17-18H2,2-3H3
InChIKeyVKUZAFXHDXDWCH-UHFFFAOYSA-N
XLogP5.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-prop-2-enylnaphthalene
CID 55253268
5-(4-methoxyphenyl)-3-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 78878564
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
3-(2,4-dimethoxyphenyl)-5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355323
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene?
The IUPAC name of 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene (CID 54397178) is 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene.
What is the SMILES notation for 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene?
The canonical SMILES for 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene is C=CCc1ccc(OCc2ccc(OC)cc2)c(OCc2ccc(OC)cc2)c1.
What is the InChIKey of 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene?
The InChIKey is VKUZAFXHDXDWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O4/c1-4-5-19-10-15-24(28-17-20-6-11-22(26-2)12-7-20)25(16-19)29-18-21-8-13-23(27-3)14-9-21/h4,6-16H,1,5,17-18H2,2-3H3.
What are the key properties of 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene?
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene has a molecular weight of 390.48 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene is sourced from PubChem (CID 54397178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).