1-bromo-2-(2-prop-2-enoxyethyl)benzene

C11H13BrO — CID 175230223

IUPAC1-bromo-2-(2-prop-2-enoxyethyl)benzene
SMILESC=CCOCCc1ccccc1Br
InChIInChI=1S/C11H13BrO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h2-6H,1,7-9H2
InChIKeyVFRNJNHWVBCXPE-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.19
Rot. Bonds5

About 1-bromo-2-(2-prop-2-enoxyethyl)benzene

1-bromo-2-(2-prop-2-enoxyethyl)benzene (PubChem CID 175230223) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-2-(2-prop-2-enoxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(2-prop-2-enoxyethyl)benzene
PubChem CID175230223
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-2-(2-prop-2-enoxyethyl)benzene
SMILESC=CCOCCc1ccccc1Br
InChIInChI=1S/C11H13BrO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h2-6H,1,7-9H2
InChIKeyVFRNJNHWVBCXPE-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 67392887
1-bromo-2-(2-methoxyethyl)benzene
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1-bromo-2-[2-(3-methylbutoxy)ethyl]benzene
CID 91691606
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
1-[2-[(2-bromophenyl)methoxy]ethyl]-2,4-diphenylbenzene
CID 46217874
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
phenyl-bis(2-prop-2-enoxyethoxy)phosphane
CID 69339497
N-[(2-bromophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 75357741
1-bromo-2-prop-2-enylbenzene;triphenylphosphane
CID 88699732
1-bromo-2-[2-(2-bromophenoxy)ethoxymethyl]benzene
CID 171578951
CID 174483797
CID 174483797
1-bromo-2-[2-(4-bromophenoxy)ethoxymethyl]benzene
CID 82831956

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-prop-2-enoxyethyl)benzene?
The IUPAC name of 1-bromo-2-(2-prop-2-enoxyethyl)benzene (CID 175230223) is 1-bromo-2-(2-prop-2-enoxyethyl)benzene.
What is the SMILES notation for 1-bromo-2-(2-prop-2-enoxyethyl)benzene?
The canonical SMILES for 1-bromo-2-(2-prop-2-enoxyethyl)benzene is C=CCOCCc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2-prop-2-enoxyethyl)benzene?
The InChIKey is VFRNJNHWVBCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-2-8-13-9-7-10-5-3-4-6-11(10)12/h2-6H,1,7-9H2.
What are the key properties of 1-bromo-2-(2-prop-2-enoxyethyl)benzene?
1-bromo-2-(2-prop-2-enoxyethyl)benzene has a molecular weight of 241.13 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-prop-2-enoxyethyl)benzene is sourced from PubChem (CID 175230223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).