2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol

C11H15BrO2 — CID 117400955

IUPAC2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol
SMILESCc1cc(CC(C)O)c(O)c(Br)c1C
InChIInChI=1S/C11H15BrO2/c1-6-4-9(5-7(2)13)11(14)10(12)8(6)3/h4,7,13-14H,5H2,1-3H3
InChIKeyYZGPNWDBKNBJQI-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.69
Rot. Bonds2

About 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol

2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol (PubChem CID 117400955) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol.

Molecular Properties

Compound Name2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol
PubChem CID117400955
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol
SMILESCc1cc(CC(C)O)c(O)c(Br)c1C
InChIInChI=1S/C11H15BrO2/c1-6-4-9(5-7(2)13)11(14)10(12)8(6)3/h4,7,13-14H,5H2,1-3H3
InChIKeyYZGPNWDBKNBJQI-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-hydroxy-4,5-dimethylphenyl)acetonitrile
CID 84800270
3-(2-hydroxypropyl)-2,6-dimethylphenol
CID 117278413
3-bromo-4-(2-hydroxypropyl)-5-methylbenzene-1,2-diol
CID 117406451
3-bromo-1-(bromomethyl)-2,4,5-trimethylbenzene
CID 139922240
5-(2-hydroxypropyl)-2,3-dimethylphenol
CID 117278410
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
CID 117283284
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
2-bromo-6-[(1R)-1,2-diaminoethyl]-3,4-dimethylphenol
CID 130611702
1-(5-bromo-2-fluoro-4-methylphenyl)propan-2-ol
CID 117369420
4-bromo-3-(2-hydroxypropyl)phenol
CID 117333494
1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol?
The IUPAC name of 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol (CID 117400955) is 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol.
What is the SMILES notation for 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol?
The canonical SMILES for 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol is Cc1cc(CC(C)O)c(O)c(Br)c1C.
What is the InChIKey of 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol?
The InChIKey is YZGPNWDBKNBJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-6-4-9(5-7(2)13)11(14)10(12)8(6)3/h4,7,13-14H,5H2,1-3H3.
What are the key properties of 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol?
2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol has a molecular weight of 259.14 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-hydroxypropyl)-3,4-dimethylphenol is sourced from PubChem (CID 117400955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).