1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene

C11H12BrClO — CID 103066182

IUPAC1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene
SMILESC=C(CCl)COCc1ccc(Br)cc1
InChIInChI=1S/C11H12BrClO/c1-9(6-13)7-14-8-10-2-4-11(12)5-3-10/h2-5H,1,6-8H2
InChIKeyCYFNBPSFIZMKFQ-UHFFFAOYSA-N
MW275.57 g/mol
LogP3.76
Rot. Bonds5

About 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene

1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene (PubChem CID 103066182) has the molecular formula C11H12BrClO and a molecular weight of 275.57 g/mol. Its IUPAC name is 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene
PubChem CID103066182
Molecular FormulaC11H12BrClO
Molecular Weight275.57 g/mol
Exact Mass273.98
IUPAC Name1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene
SMILESC=C(CCl)COCc1ccc(Br)cc1
InChIInChI=1S/C11H12BrClO/c1-9(6-13)7-14-8-10-2-4-11(12)5-3-10/h2-5H,1,6-8H2
InChIKeyCYFNBPSFIZMKFQ-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.57
LogP ≤ 53.76
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

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CID 82831352
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2-[(4-bromophenyl)methoxy]-N-ethylethanamine
CID 62337818
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
1-[2-(chloromethyl)prop-2-enoxy]-4-phenylmethoxybenzene
CID 103065932
1-bromo-4-(2-chloroprop-2-enyl)benzene
CID 24721716
1-chloro-3-[(4-chlorophenyl)methoxy]propan-2-one
CID 170561692
1-bromo-4-(2,2-dibromopropoxymethyl)benzene
CID 67833437
N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine
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(4-bromophenyl)methoxymethyl-trifluoroboranuide
CID 82826221
1-(2-chloroprop-2-enoxymethyl)-4-methoxybenzene
CID 10798623
(E)-4-[(4-bromophenyl)methoxy]-2,3,4,4-tetradeuteriobut-2-en-1-ol
CID 10083994

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene?
The IUPAC name of 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene (CID 103066182) is 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene is C=C(CCl)COCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene?
The InChIKey is CYFNBPSFIZMKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO/c1-9(6-13)7-14-8-10-2-4-11(12)5-3-10/h2-5H,1,6-8H2.
What are the key properties of 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene?
1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene has a molecular weight of 275.57 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene is sourced from PubChem (CID 103066182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).