2,4-bis(chloromethyl)-1-prop-2-enoxybenzene

C11H12Cl2O — CID 71378688

IUPAC2,4-bis(chloromethyl)-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(CCl)cc1CCl
InChIInChI=1S/C11H12Cl2O/c1-2-5-14-11-4-3-9(7-12)6-10(11)8-13/h2-4,6H,1,5,7-8H2
InChIKeyHOGJAFWFXQDZIH-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.73
Rot. Bonds5

About 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene

2,4-bis(chloromethyl)-1-prop-2-enoxybenzene (PubChem CID 71378688) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene.

Molecular Properties

Compound Name2,4-bis(chloromethyl)-1-prop-2-enoxybenzene
PubChem CID71378688
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name2,4-bis(chloromethyl)-1-prop-2-enoxybenzene
SMILESC=CCOc1ccc(CCl)cc1CCl
InChIInChI=1S/C11H12Cl2O/c1-2-5-14-11-4-3-9(7-12)6-10(11)8-13/h2-4,6H,1,5,7-8H2
InChIKeyHOGJAFWFXQDZIH-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

4-(chloromethyl)-2-methyl-1-prop-2-enoxybenzene
CID 22242077
1-prop-2-enoxy-2-[(2-prop-2-enoxyphenyl)methoxymethyl]benzene
CID 102306683
(2-prop-2-enoxyphenyl)methanol
CID 11137475
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
2-prop-2-enoxy-1,4-bis(prop-2-enyl)benzene
CID 66892127
4-prop-2-enoxy-3-(prop-2-enoxymethyl)benzaldehyde
CID 10704725
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
CID 67198367
(4-fluoro-2-prop-2-enoxyphenyl)methanol
CID 67448374
4-phenyl-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 155642904
2-(3-chloro-4-prop-2-enoxyphenyl)ethyl hypoiodite
CID 89000806
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene?
The IUPAC name of 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene (CID 71378688) is 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene.
What is the SMILES notation for 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene?
The canonical SMILES for 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene is C=CCOc1ccc(CCl)cc1CCl.
What is the InChIKey of 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene?
The InChIKey is HOGJAFWFXQDZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-2-5-14-11-4-3-9(7-12)6-10(11)8-13/h2-4,6H,1,5,7-8H2.
What are the key properties of 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene?
2,4-bis(chloromethyl)-1-prop-2-enoxybenzene has a molecular weight of 231.12 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(chloromethyl)-1-prop-2-enoxybenzene is sourced from PubChem (CID 71378688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).