4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol

C11H13BrO2 — CID 101056577

IUPAC4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol
SMILESC=C(C)C(O)Cc1cc(Br)ccc1O
InChIInChI=1S/C11H13BrO2/c1-7(2)11(14)6-8-5-9(12)3-4-10(8)13/h3-5,11,13-14H,1,6H2,2H3
InChIKeyZNLWLNSUMJMJQI-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.63
Rot. Bonds3

About 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol

4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol (PubChem CID 101056577) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol
PubChem CID101056577
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol
SMILESC=C(C)C(O)Cc1cc(Br)ccc1O
InChIInChI=1S/C11H13BrO2/c1-7(2)11(14)6-8-5-9(12)3-4-10(8)13/h3-5,11,13-14H,1,6H2,2H3
InChIKeyZNLWLNSUMJMJQI-UHFFFAOYSA-N
XLogP2.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol?
The IUPAC name of 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol (CID 101056577) is 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol.
What is the SMILES notation for 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol?
The canonical SMILES for 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol is C=C(C)C(O)Cc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol?
The InChIKey is ZNLWLNSUMJMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-7(2)11(14)6-8-5-9(12)3-4-10(8)13/h3-5,11,13-14H,1,6H2,2H3.
What are the key properties of 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol?
4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol has a molecular weight of 257.13 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol is sourced from PubChem (CID 101056577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).