3-(2-bromoethoxy)prop-1-enylbenzene

C11H13BrO — CID 72731799

IUPAC3-(2-bromoethoxy)prop-1-enylbenzene
SMILESBrCCOCC=Cc1ccccc1
InChIInChI=1S/C11H13BrO/c12-8-10-13-9-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2
InChIKeyCBGLHCDOPDPTDR-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.11
Rot. Bonds5

About 3-(2-bromoethoxy)prop-1-enylbenzene

3-(2-bromoethoxy)prop-1-enylbenzene (PubChem CID 72731799) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 3-(2-bromoethoxy)prop-1-enylbenzene.

Molecular Properties

Compound Name3-(2-bromoethoxy)prop-1-enylbenzene
PubChem CID72731799
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name3-(2-bromoethoxy)prop-1-enylbenzene
SMILESBrCCOCC=Cc1ccccc1
InChIInChI=1S/C11H13BrO/c12-8-10-13-9-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2
InChIKeyCBGLHCDOPDPTDR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
CID 129361921
3-nonoxyprop-1-enylbenzene
CID 91487084
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
3-henicosoxyprop-1-enylbenzene
CID 139660432
N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70684171
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
[(E)-3-[(Z)-6-phenylhex-3-enoxy]prop-1-enyl]benzene
CID 56957260
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethoxy)prop-1-enylbenzene?
The IUPAC name of 3-(2-bromoethoxy)prop-1-enylbenzene (CID 72731799) is 3-(2-bromoethoxy)prop-1-enylbenzene.
What is the SMILES notation for 3-(2-bromoethoxy)prop-1-enylbenzene?
The canonical SMILES for 3-(2-bromoethoxy)prop-1-enylbenzene is BrCCOCC=Cc1ccccc1.
What is the InChIKey of 3-(2-bromoethoxy)prop-1-enylbenzene?
The InChIKey is CBGLHCDOPDPTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c12-8-10-13-9-4-7-11-5-2-1-3-6-11/h1-7H,8-10H2.
What are the key properties of 3-(2-bromoethoxy)prop-1-enylbenzene?
3-(2-bromoethoxy)prop-1-enylbenzene has a molecular weight of 241.13 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethoxy)prop-1-enylbenzene is sourced from PubChem (CID 72731799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).