1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene

C21H24O4 — CID 122178034

IUPAC1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
SMILESC=CCc1ccc(Oc2cc(CC=C)cc(OC)c2OC)c(OC)c1
InChIInChI=1S/C21H24O4/c1-6-8-15-10-11-17(18(12-15)22-3)25-20-14-16(9-7-2)13-19(23-4)21(20)24-5/h6-7,10-14H,1-2,8-9H2,3-5H3
InChIKeyFUMWKJXPNCMONN-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.96
Rot. Bonds9

About 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene

1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene (PubChem CID 122178034) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
PubChem CID122178034
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
SMILESC=CCc1ccc(Oc2cc(CC=C)cc(OC)c2OC)c(OC)c1
InChIInChI=1S/C21H24O4/c1-6-8-15-10-11-17(18(12-15)22-3)25-20-14-16(9-7-2)13-19(23-4)21(20)24-5/h6-7,10-14H,1-2,8-9H2,3-5H3
InChIKeyFUMWKJXPNCMONN-UHFFFAOYSA-N
XLogP4.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.96
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

1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
CID 67892589
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
iron;(2-methoxy-4-prop-2-enylphenyl) formate
CID 174941140
1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene
CID 118254959
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
2-(2-methoxy-4-prop-2-enylphenoxy)ethene-1,1-diol
CID 146301981

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene?
The IUPAC name of 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene (CID 122178034) is 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene.
What is the SMILES notation for 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene?
The canonical SMILES for 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene is C=CCc1ccc(Oc2cc(CC=C)cc(OC)c2OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene?
The InChIKey is FUMWKJXPNCMONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-6-8-15-10-11-17(18(12-15)22-3)25-20-14-16(9-7-2)13-19(23-4)21(20)24-5/h6-7,10-14H,1-2,8-9H2,3-5H3.
What are the key properties of 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene?
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene has a molecular weight of 340.42 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene is sourced from PubChem (CID 122178034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).