4-bromo-2-(1-hydroxy-2-methylpropyl)phenol

C10H13BrO2 — CID 59457843

IUPAC4-bromo-2-(1-hydroxy-2-methylpropyl)phenol
SMILESCC(C)C(O)c1cc(Br)ccc1O
InChIInChI=1S/C10H13BrO2/c1-6(2)10(13)8-5-7(11)3-4-9(8)12/h3-6,10,12-13H,1-2H3
InChIKeyNJSLLOVFMCUYDO-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.84
Rot. Bonds2

About 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol

4-bromo-2-(1-hydroxy-2-methylpropyl)phenol (PubChem CID 59457843) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1-hydroxy-2-methylpropyl)phenol
PubChem CID59457843
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name4-bromo-2-(1-hydroxy-2-methylpropyl)phenol
SMILESCC(C)C(O)c1cc(Br)ccc1O
InChIInChI=1S/C10H13BrO2/c1-6(2)10(13)8-5-7(11)3-4-9(8)12/h3-6,10,12-13H,1-2H3
InChIKeyNJSLLOVFMCUYDO-UHFFFAOYSA-N
XLogP2.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2,6-dimethylphenol
CID 16919
4-Bromo-2-methylphenol
CID 16896
Vermella
CID 203726
4-Bromo-2,6-di-tert-butylphenol
CID 70829
2,2'-Methylenebis(4-bromophenol)
CID 3061033
5-Bromo-2-hydroxybenzyl alcohol
CID 75342
5-Bromo-2-methoxybenzyl alcohol
CID 612298
4-Bromopropofol
CID 10422572
4-Bromo-2-ethylphenol
CID 87877
4-Bromo-2,6-bis(hydroxymethyl)phenol
CID 241044
2-Allyl-4-bromophenol
CID 258468
2-[(1R)-1-hydroxyethyl]phenol
CID 12318664

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol?
The IUPAC name of 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol (CID 59457843) is 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol.
What is the SMILES notation for 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol?
The canonical SMILES for 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol is CC(C)C(O)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol?
The InChIKey is NJSLLOVFMCUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6(2)10(13)8-5-7(11)3-4-9(8)12/h3-6,10,12-13H,1-2H3.
What are the key properties of 4-bromo-2-(1-hydroxy-2-methylpropyl)phenol?
4-bromo-2-(1-hydroxy-2-methylpropyl)phenol has a molecular weight of 245.12 g/mol, XLogP of 2.84, 2 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-2-methylpropyl)phenol is sourced from PubChem (CID 59457843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).