4-bromo-2-(2-hydroxypropyl)-3-methylphenol

C10H13BrO2 — CID 117364048

IUPAC4-bromo-2-(2-hydroxypropyl)-3-methylphenol
SMILESCc1c(Br)ccc(O)c1CC(C)O
InChIInChI=1S/C10H13BrO2/c1-6(12)5-8-7(2)9(11)3-4-10(8)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeyZQTJYTQYMNFXQK-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.39
Rot. Bonds2

About 4-bromo-2-(2-hydroxypropyl)-3-methylphenol

4-bromo-2-(2-hydroxypropyl)-3-methylphenol (PubChem CID 117364048) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 4-bromo-2-(2-hydroxypropyl)-3-methylphenol.

Molecular Properties

Compound Name4-bromo-2-(2-hydroxypropyl)-3-methylphenol
PubChem CID117364048
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name4-bromo-2-(2-hydroxypropyl)-3-methylphenol
SMILESCc1c(Br)ccc(O)c1CC(C)O
InChIInChI=1S/C10H13BrO2/c1-6(12)5-8-7(2)9(11)3-4-10(8)13/h3-4,6,12-13H,5H2,1-2H3
InChIKeyZQTJYTQYMNFXQK-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(methoxymethyl)-3-methylphenol
CID 21099368
4-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278408
3-bromo-4-(2-hydroxypropyl)-5-methylbenzene-1,2-diol
CID 117406451
2-(1-aminoethyl)-4-bromo-3-methylphenol
CID 84693263
4-bromo-3-(hydroxymethyl)-2-methylphenol
CID 66643800
4-fluoro-3-(2-hydroxypropyl)benzene-1,2-diol
CID 117280369
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
3-(2-aminopropyl)-4-bromobenzene-1,2-diol
CID 117366974
2-(2-aminopropyl)-4-chloro-3-methylphenol
CID 117288922
5-chloro-3-(2-hydroxypropyl)-4-methylbenzene-1,2-diol
CID 117308659
3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-hydroxypropyl)-3-methylphenol?
The IUPAC name of 4-bromo-2-(2-hydroxypropyl)-3-methylphenol (CID 117364048) is 4-bromo-2-(2-hydroxypropyl)-3-methylphenol.
What is the SMILES notation for 4-bromo-2-(2-hydroxypropyl)-3-methylphenol?
The canonical SMILES for 4-bromo-2-(2-hydroxypropyl)-3-methylphenol is Cc1c(Br)ccc(O)c1CC(C)O.
What is the InChIKey of 4-bromo-2-(2-hydroxypropyl)-3-methylphenol?
The InChIKey is ZQTJYTQYMNFXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-6(12)5-8-7(2)9(11)3-4-10(8)13/h3-4,6,12-13H,5H2,1-2H3.
What are the key properties of 4-bromo-2-(2-hydroxypropyl)-3-methylphenol?
4-bromo-2-(2-hydroxypropyl)-3-methylphenol has a molecular weight of 245.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-hydroxypropyl)-3-methylphenol is sourced from PubChem (CID 117364048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).