1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene

C13H17BrO — CID 169476628

IUPAC1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
SMILESCC(C)COc1ccc(C=CCBr)cc1
InChIInChI=1S/C13H17BrO/c1-11(2)10-15-13-7-5-12(6-8-13)4-3-9-14/h3-8,11H,9-10H2,1-2H3
InChIKeyRNIZRXURKAIUEB-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.13
Rot. Bonds5

About 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene

1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene (PubChem CID 169476628) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
PubChem CID169476628
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
SMILESCC(C)COc1ccc(C=CCBr)cc1
InChIInChI=1S/C13H17BrO/c1-11(2)10-15-13-7-5-12(6-8-13)4-3-9-14/h3-8,11H,9-10H2,1-2H3
InChIKeyRNIZRXURKAIUEB-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500
3-[4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 4201747
3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 131842632
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364
(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
CID 70597845
2-methyl-N-[3-(4-prop-2-enoxyphenyl)prop-2-enyl]propan-1-amine
CID 79347200
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
5-(2-methylpropoxy)-2-[(E)-2-phenylethenyl]pyridine
CID 129451859
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
1-[4-(3-hydroxyprop-1-enyl)phenoxy]-3-methylbutane-2,3-diol
CID 74075858

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene?
The IUPAC name of 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene (CID 169476628) is 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene?
The canonical SMILES for 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene is CC(C)COc1ccc(C=CCBr)cc1.
What is the InChIKey of 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene?
The InChIKey is RNIZRXURKAIUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-11(2)10-15-13-7-5-12(6-8-13)4-3-9-14/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene?
1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene has a molecular weight of 269.18 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene is sourced from PubChem (CID 169476628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).