5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol

C10H13BrO3 — CID 117406460

IUPAC5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
SMILESCOc1cc(CC(C)O)c(Br)cc1O
InChIInChI=1S/C10H13BrO3/c1-6(12)3-7-4-10(14-2)9(13)5-8(7)11/h4-6,12-13H,3H2,1-2H3
InChIKeyXDRDZBFCWXBGGH-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.09
Rot. Bonds3

About 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol

5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol (PubChem CID 117406460) has the molecular formula C10H13BrO3 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
PubChem CID117406460
Molecular FormulaC10H13BrO3
Molecular Weight261.12 g/mol
Exact Mass260.00
IUPAC Name5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
SMILESCOc1cc(CC(C)O)c(Br)cc1O
InChIInChI=1S/C10H13BrO3/c1-6(12)3-7-4-10(14-2)9(13)5-8(7)11/h4-6,12-13H,3H2,1-2H3
InChIKeyXDRDZBFCWXBGGH-UHFFFAOYSA-N
XLogP2.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670
5-fluoro-2-(2-hydroxypropyl)-4-methoxyphenol
CID 117289277
5-bromo-4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 111122786
5-(2-aminobutyl)-4-bromo-2-methoxyphenol
CID 170888665
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
CID 117448579
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol?
The IUPAC name of 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol (CID 117406460) is 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol.
What is the SMILES notation for 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol?
The canonical SMILES for 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol is COc1cc(CC(C)O)c(Br)cc1O.
What is the InChIKey of 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol?
The InChIKey is XDRDZBFCWXBGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO3/c1-6(12)3-7-4-10(14-2)9(13)5-8(7)11/h4-6,12-13H,3H2,1-2H3.
What are the key properties of 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol?
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol has a molecular weight of 261.12 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol is sourced from PubChem (CID 117406460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).