1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene

C20H22O3 — CID 102306683

IUPAC1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
SMILESC=CCOc1ccccc1COCc1ccccc1OCC=C
InChIInChI=1S/C20H22O3/c1-3-13-22-19-11-7-5-9-17(19)15-21-16-18-10-6-8-12-20(18)23-14-4-2/h3-12H,1-2,13-16H2
InChIKeyQEUFLCMSNWIVKR-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.53
Rot. Bonds10

About 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene

1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene (PubChem CID 102306683) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
PubChem CID102306683
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
SMILESC=CCOc1ccccc1COCc1ccccc1OCC=C
InChIInChI=1S/C20H22O3/c1-3-13-22-19-11-7-5-9-17(19)15-21-16-18-10-6-8-12-20(18)23-14-4-2/h3-12H,1-2,13-16H2
InChIKeyQEUFLCMSNWIVKR-UHFFFAOYSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.53
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

bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920
(2-prop-2-enoxyphenyl)methanol
CID 11137475
1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
CID 23382023
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
1,1-dimethyl-2-[(2-prop-2-enoxyphenyl)methyl]hydrazine
CID 83005876
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
CID 54342981
CID 54342981
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
N-[(2-prop-2-enoxyphenyl)methyl]pyrrol-1-amine
CID 79090979
N-[(2-fluorophenyl)methyl]-1-(2-prop-2-enoxyphenyl)methanamine
CID 43221042
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene?
The IUPAC name of 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene (CID 102306683) is 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene is C=CCOc1ccccc1COCc1ccccc1OCC=C.
What is the InChIKey of 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene?
The InChIKey is QEUFLCMSNWIVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-3-13-22-19-11-7-5-9-17(19)15-21-16-18-10-6-8-12-20(18)23-14-4-2/h3-12H,1-2,13-16H2.
What are the key properties of 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene?
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene has a molecular weight of 310.39 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene is sourced from PubChem (CID 102306683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).