2-bromo-6-prop-2-enoxyphenol

C9H9BrO2 — CID 170987480

IUPAC2-bromo-6-prop-2-enoxyphenol
SMILESC=CCOc1cccc(Br)c1O
InChIInChI=1S/C9H9BrO2/c1-2-6-12-8-5-3-4-7(10)9(8)11/h2-5,11H,1,6H2
InChIKeyLPSKAWSBRZTZAP-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.72
Rot. Bonds3

About 2-bromo-6-prop-2-enoxyphenol

2-bromo-6-prop-2-enoxyphenol (PubChem CID 170987480) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-bromo-6-prop-2-enoxyphenol.

Molecular Properties

Compound Name2-bromo-6-prop-2-enoxyphenol
PubChem CID170987480
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-bromo-6-prop-2-enoxyphenol
SMILESC=CCOc1cccc(Br)c1O
InChIInChI=1S/C9H9BrO2/c1-2-6-12-8-5-3-4-7(10)9(8)11/h2-5,11H,1,6H2
InChIKeyLPSKAWSBRZTZAP-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-phenylmethoxyphenol
CID 67346586
2-bromo-6-(2,6-dibromophenoxy)phenol
CID 125324899
5-prop-2-enoxynaphthalene-1,4-diol
CID 11148628
(2-prop-2-enoxyphenyl)methanol
CID 11137475
CID 54342981
CID 54342981
1-methoxy-2,3-bis(prop-2-enoxy)benzene
CID 11160335
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
(2-prop-2-enoxyphenyl)methanetriol
CID 23453506
1-bromo-3-propan-2-yl-2-prop-2-enoxybenzene
CID 86080523
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
1-bromo-3-phenyl-2-prop-2-enoxybenzene
CID 18347636
2-bromophenol;3-bromoprop-1-ene
CID 175256619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-prop-2-enoxyphenol?
The IUPAC name of 2-bromo-6-prop-2-enoxyphenol (CID 170987480) is 2-bromo-6-prop-2-enoxyphenol.
What is the SMILES notation for 2-bromo-6-prop-2-enoxyphenol?
The canonical SMILES for 2-bromo-6-prop-2-enoxyphenol is C=CCOc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-prop-2-enoxyphenol?
The InChIKey is LPSKAWSBRZTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-2-6-12-8-5-3-4-7(10)9(8)11/h2-5,11H,1,6H2.
What are the key properties of 2-bromo-6-prop-2-enoxyphenol?
2-bromo-6-prop-2-enoxyphenol has a molecular weight of 229.07 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-prop-2-enoxyphenol is sourced from PubChem (CID 170987480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).