1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene

C20H22O3 — CID 144777892

IUPAC1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(Oc2ccc(OC)c(CC=C)c2)ccc1OC
InChIInChI=1S/C20H22O3/c1-5-7-15-13-17(9-11-19(15)21-3)23-18-10-12-20(22-4)16(14-18)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3
InChIKeyPNAKXMUDRNKEDS-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.95
Rot. Bonds8

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

1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene (PubChem CID 144777892) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
PubChem CID144777892
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(Oc2ccc(OC)c(CC=C)c2)ccc1OC
InChIInChI=1S/C20H22O3/c1-5-7-15-13-17(9-11-19(15)21-3)23-18-10-12-20(22-4)16(14-18)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3
InChIKeyPNAKXMUDRNKEDS-UHFFFAOYSA-N
XLogP4.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-prop-2-enyl-4-(3-prop-2-enyl-4-trimethylsilyloxyphenoxy)phenoxy]silane
CID 123927676
4-methoxy-1-[(2-methylpropan-2-yl)oxy]-2-prop-2-enylbenzene
CID 129010804
1-methoxy-4-[2-(4-methoxy-3-prop-2-enylphenyl)propan-2-yl]-2-prop-2-enylbenzene
CID 19042683
1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
CID 59727862
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734
4-ethoxy-2-methoxy-1-prop-2-enylbenzene
CID 24770498
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
4-ethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 24770219
5-methoxy-2-prop-2-enylphenol
CID 6424515
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate
CID 59680629
1-(2-methoxy-5-phenoxyphenyl)-N-methylmethanamine
CID 82552149

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene?
The IUPAC name of 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene (CID 144777892) is 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene.
What is the SMILES notation for 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene?
The canonical SMILES for 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene is C=CCc1cc(Oc2ccc(OC)c(CC=C)c2)ccc1OC.
What is the InChIKey of 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene?
The InChIKey is PNAKXMUDRNKEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-5-7-15-13-17(9-11-19(15)21-3)23-18-10-12-20(22-4)16(14-18)8-6-2/h5-6,9-14H,1-2,7-8H2,3-4H3.
What are the key properties of 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene?
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene has a molecular weight of 310.39 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene is sourced from PubChem (CID 144777892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).