1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene

C11H12BrClO2 — CID 103066188

IUPAC1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene
SMILESC=C(CCl)COc1c(Br)cccc1OC
InChIInChI=1S/C11H12BrClO2/c1-8(6-13)7-15-11-9(12)4-3-5-10(11)14-2/h3-5H,1,6-7H2,2H3
InChIKeyINDSESZSJAJPSU-UHFFFAOYSA-N
MW291.57 g/mol
LogP3.63
Rot. Bonds5

About 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene

1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene (PubChem CID 103066188) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene
PubChem CID103066188
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Name1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene
SMILESC=C(CCl)COc1c(Br)cccc1OC
InChIInChI=1S/C11H12BrClO2/c1-8(6-13)7-15-11-9(12)4-3-5-10(11)14-2/h3-5H,1,6-7H2,2H3
InChIKeyINDSESZSJAJPSU-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 53.63
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

1-(2-bromo-6-methoxyphenoxy)-3-methoxypropan-2-one
CID 107508214
1,3-dichloro-2-[2-(chloromethyl)prop-2-enoxy]benzene
CID 103066071
3-(2-bromo-6-methoxyphenoxy)-N-ethylpropan-1-amine
CID 83140817
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
1-bromo-2-but-3-ynoxy-3-methoxybenzene
CID 82686319
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
6-(2-bromo-6-methoxyphenoxy)hexan-2-one
CID 83140482
[3-bromo-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60889264
6-[(2-bromo-6-methoxyphenoxy)methyl]pyridin-2-amine
CID 83140412
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
N-benzyl-2-(2-bromo-6-methoxyphenoxy)ethanamine
CID 83140186
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene?
The IUPAC name of 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene (CID 103066188) is 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene.
What is the SMILES notation for 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene?
The canonical SMILES for 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene is C=C(CCl)COc1c(Br)cccc1OC.
What is the InChIKey of 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene?
The InChIKey is INDSESZSJAJPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-8(6-13)7-15-11-9(12)4-3-5-10(11)14-2/h3-5H,1,6-7H2,2H3.
What are the key properties of 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene?
1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene has a molecular weight of 291.57 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzene is sourced from PubChem (CID 103066188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).