4-bromo-2-(1-hydroxy-3-methylbutyl)phenol

C11H15BrO2 — CID 102030577

IUPAC4-bromo-2-(1-hydroxy-3-methylbutyl)phenol
SMILESCC(C)CC(O)c1cc(Br)ccc1O
InChIInChI=1S/C11H15BrO2/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,13-14H,5H2,1-2H3
InChIKeyOXBFWIVZAKYAEX-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.23
Rot. Bonds3

About 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol

4-bromo-2-(1-hydroxy-3-methylbutyl)phenol (PubChem CID 102030577) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1-hydroxy-3-methylbutyl)phenol
PubChem CID102030577
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-bromo-2-(1-hydroxy-3-methylbutyl)phenol
SMILESCC(C)CC(O)c1cc(Br)ccc1O
InChIInChI=1S/C11H15BrO2/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,13-14H,5H2,1-2H3
InChIKeyOXBFWIVZAKYAEX-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol?
The IUPAC name of 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol (CID 102030577) is 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol.
What is the SMILES notation for 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol?
The canonical SMILES for 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol is CC(C)CC(O)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol?
The InChIKey is OXBFWIVZAKYAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,13-14H,5H2,1-2H3.
What are the key properties of 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol?
4-bromo-2-(1-hydroxy-3-methylbutyl)phenol has a molecular weight of 259.14 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-hydroxy-3-methylbutyl)phenol is sourced from PubChem (CID 102030577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).