4-bromo-2-(3-hydroxybutyl)phenol

C10H13BrO2 — CID 134275003

IUPAC4-bromo-2-(3-hydroxybutyl)phenol
SMILESCC(O)CCc1cc(Br)ccc1O
InChIInChI=1S/C10H13BrO2/c1-7(12)2-3-8-6-9(11)4-5-10(8)13/h4-7,12-13H,2-3H2,1H3
InChIKeyQUZKWCQNABFKRZ-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.47
Rot. Bonds3

About 4-bromo-2-(3-hydroxybutyl)phenol

4-bromo-2-(3-hydroxybutyl)phenol (PubChem CID 134275003) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-2-(3-hydroxybutyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(3-hydroxybutyl)phenol
PubChem CID134275003
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name4-bromo-2-(3-hydroxybutyl)phenol
SMILESCC(O)CCc1cc(Br)ccc1O
InChIInChI=1S/C10H13BrO2/c1-7(12)2-3-8-6-9(11)4-5-10(8)13/h4-7,12-13H,2-3H2,1H3
InChIKeyQUZKWCQNABFKRZ-UHFFFAOYSA-N
XLogP2.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25207881
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CID 22134514
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CID 64514586
4-(3-hydroxybutyl)benzene-1,3-diol
CID 71768563
2-(3-aminobutyl)-5-bromophenol
CID 130001244
4-bromo-2-[(pentan-2-ylamino)methyl]phenol
CID 103636959
4-bromo-2-(2-hydroxy-3-methylbut-3-enyl)phenol
CID 101056577
5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
CID 83933937
4-bromo-2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82981508
4-bromo-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 51981416
5-bromo-2-[1-(3-hydroxybutylamino)ethyl]phenol
CID 104582475
(2S)-2-[(5-bromo-2-hydroxyphenyl)methylamino]propanoic acid
CID 102222171

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-hydroxybutyl)phenol?
The IUPAC name of 4-bromo-2-(3-hydroxybutyl)phenol (CID 134275003) is 4-bromo-2-(3-hydroxybutyl)phenol.
What is the SMILES notation for 4-bromo-2-(3-hydroxybutyl)phenol?
The canonical SMILES for 4-bromo-2-(3-hydroxybutyl)phenol is CC(O)CCc1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-(3-hydroxybutyl)phenol?
The InChIKey is QUZKWCQNABFKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-7(12)2-3-8-6-9(11)4-5-10(8)13/h4-7,12-13H,2-3H2,1H3.
What are the key properties of 4-bromo-2-(3-hydroxybutyl)phenol?
4-bromo-2-(3-hydroxybutyl)phenol has a molecular weight of 245.12 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-hydroxybutyl)phenol is sourced from PubChem (CID 134275003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).