5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole

C19H20O3 — CID 175742785

IUPAC5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole
SMILESC=CCc1ccc(OC)c(C(C)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H20O3/c1-4-5-14-6-8-17(20-3)16(10-14)13(2)15-7-9-18-19(11-15)22-12-21-18/h4,6-11,13H,1,5,12H2,2-3H3
InChIKeyAVIPYBHUMVYBMN-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.30
Rot. Bonds5

About 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole

5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole (PubChem CID 175742785) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole
PubChem CID175742785
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole
SMILESC=CCc1ccc(OC)c(C(C)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H20O3/c1-4-5-14-6-8-17(20-3)16(10-14)13(2)15-7-9-18-19(11-15)22-12-21-18/h4,6-11,13H,1,5,12H2,2-3H3
InChIKeyAVIPYBHUMVYBMN-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.30
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

5-[(1R)-1-(4-methoxyphenyl)ethyl]-6-prop-2-enoxy-1,3-benzodioxole
CID 6992694
ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
5-ethoxy-6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 679971
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 17414877
1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methanol
CID 61099714
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376
1-(1,3-benzodioxol-5-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;hydrochloride
CID 6457612
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 28649877
5-[1-(4-methoxyphenyl)prop-2-enyl]-1,3-benzodioxole
CID 141140455
(1S,2S,3R)-4-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol
CID 102056207
5-[(1S)-1-(2-methoxyphenyl)-5-phenylpentyl]-1,3-benzodioxole
CID 167679878

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole?
The IUPAC name of 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole (CID 175742785) is 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole?
The canonical SMILES for 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole is C=CCc1ccc(OC)c(C(C)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole?
The InChIKey is AVIPYBHUMVYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-4-5-14-6-8-17(20-3)16(10-14)13(2)15-7-9-18-19(11-15)22-12-21-18/h4,6-11,13H,1,5,12H2,2-3H3.
What are the key properties of 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole?
5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole has a molecular weight of 296.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxy-5-prop-2-enylphenyl)ethyl]-1,3-benzodioxole is sourced from PubChem (CID 175742785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).