5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole

C19H20O4 — CID 6992694

IUPAC5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
SMILESC=CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2
InChIInChI=1S/C19H20O4/c1-4-9-21-17-11-19-18(22-12-23-19)10-16(17)13(2)14-5-7-15(20-3)8-6-14/h4-8,10-11,13H,1,9,12H2,2-3H3/t13-/m1/s1
InChIKeyIZTASLRRHYCALV-CYBMUJFWSA-N
MW312.37 g/mol
LogP4.14
Rot. Bonds6

About 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole

5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole (PubChem CID 6992694) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
PubChem CID6992694
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
SMILESC=CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2
InChIInChI=1S/C19H20O4/c1-4-9-21-17-11-19-18(22-12-23-19)10-16(17)13(2)14-5-7-15(20-3)8-6-14/h4-8,10-11,13H,1,9,12H2,2-3H3/t13-/m1/s1
InChIKeyIZTASLRRHYCALV-CYBMUJFWSA-N
XLogP4.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.14
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

5-ethoxy-6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 679971
[(E)-1-[[6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]propan-2-ylideneamino]urea
CID 92530283
5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole
CID 175742785
5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
CID 141140455
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol
CID 162744144
ethyl 2-[[6-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]acetate
CID 6992695
(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol
CID 68554778
5-[(4-methoxyphenyl)methyl]-6-(3-methylbutoxy)-1,3-benzodioxole
CID 13035011
methyl (3R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoate
CID 99998622
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
CID 6457612
[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfonylethyl]azanium
CID 9167644

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole?
The IUPAC name of 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole (CID 6992694) is 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole.
What is the SMILES notation for 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole?
The canonical SMILES for 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole is C=CCOc1cc2c(cc1[C@H](C)c1ccc(OC)cc1)OCO2.
What is the InChIKey of 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole?
The InChIKey is IZTASLRRHYCALV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20O4/c1-4-9-21-17-11-19-18(22-12-23-19)10-16(17)13(2)14-5-7-15(20-3)8-6-14/h4-8,10-11,13H,1,9,12H2,2-3H3/t13-/m1/s1.
What are the key properties of 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole?
5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole has a molecular weight of 312.37 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole is sourced from PubChem (CID 6992694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).