2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole

C11H11ClO2 — CID 154260196

IUPAC2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1ccc2c(c1)OC(CCl)O2
InChIInChI=1S/C11H11ClO2/c1-2-3-8-4-5-9-10(6-8)14-11(7-12)13-9/h2,4-6,11H,1,3,7H2
InChIKeyHTURJQIIVUAAFM-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.75
Rot. Bonds3

About 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole

2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole (PubChem CID 154260196) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole.

Molecular Properties

Compound Name2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole
PubChem CID154260196
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole
SMILESC=CCc1ccc2c(c1)OC(CCl)O2
InChIInChI=1S/C11H11ClO2/c1-2-3-8-4-5-9-10(6-8)14-11(7-12)13-9/h2,4-6,11H,1,3,7H2
InChIKeyHTURJQIIVUAAFM-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylidene-7-prop-2-enyl-1,5-benzodioxepine
CID 10910586
(2R,3R)-2-methyl-6-prop-2-enyl-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine
CID 162788288
10-prop-2-enyl-2,3,6,7-tetrahydro-1,8,4,5-benzodioxadithiecine
CID 163664812
ethanol;5-prop-2-enyl-1,3-benzodioxole
CID 175326771
1-chloro-2-methyl-4-prop-2-enylbenzene
CID 2757698
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
2-chloro-7-prop-2-enylnaphthalene
CID 58656022
bis(4-prop-2-enylphenyl)iodanium
CID 87130865
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
1-[(2R)-5-[(E)-hex-2-enyl]-1,3-benzodioxol-2-yl]ethanone
CID 129262168
(1R,2S)-1-[17-[(1R,2S)-1,2-dihydroxypropyl]-12,25-bis(prop-2-enyl)-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9(14),10,12,15(20),16,18,23,25-dodecaen-4-yl]propane-1,2-diol
CID 71580864
2-ethenyl-1-ethyl-4-prop-2-enylbenzene
CID 123275619

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole?
The IUPAC name of 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole (CID 154260196) is 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole.
What is the SMILES notation for 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole?
The canonical SMILES for 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole is C=CCc1ccc2c(c1)OC(CCl)O2.
What is the InChIKey of 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole?
The InChIKey is HTURJQIIVUAAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-2-3-8-4-5-9-10(6-8)14-11(7-12)13-9/h2,4-6,11H,1,3,7H2.
What are the key properties of 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole?
2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole has a molecular weight of 210.66 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-prop-2-enyl-1,3-benzodioxole is sourced from PubChem (CID 154260196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).