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

C9H11BrO2 — CID 117333494

IUPAC4-bromo-3-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(O)ccc1Br
InChIInChI=1S/C9H11BrO2/c1-6(11)4-7-5-8(12)2-3-9(7)10/h2-3,5-6,11-12H,4H2,1H3
InChIKeyRXCJZEXKZXLVLC-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.08
Rot. Bonds2

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

4-bromo-3-(2-hydroxypropyl)phenol (PubChem CID 117333494) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-3-(2-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-bromo-3-(2-hydroxypropyl)phenol
PubChem CID117333494
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name4-bromo-3-(2-hydroxypropyl)phenol
SMILESCC(O)Cc1cc(O)ccc1Br
InChIInChI=1S/C9H11BrO2/c1-6(11)4-7-5-8(12)2-3-9(7)10/h2-3,5-6,11-12H,4H2,1H3
InChIKeyRXCJZEXKZXLVLC-UHFFFAOYSA-N
XLogP2.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chlorophenyl)propan-2-ol
CID 117377789
ethyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
CID 170884939
3-[[bis(3-methylbutyl)amino]methyl]-4-bromophenol
CID 107871875
4-bromo-3-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 103816362
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
4-bromo-3-[[propan-2-yl(propyl)amino]methyl]phenol
CID 82977711
4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82982203
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
2-bromo-4-fluoro-6-(2-hydroxypropyl)phenol
CID 117375107
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol
CID 82983837
4-bromo-3-[2-methyl-2-(methylamino)propyl]phenol
CID 83732596

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2-hydroxypropyl)phenol?
The IUPAC name of 4-bromo-3-(2-hydroxypropyl)phenol (CID 117333494) is 4-bromo-3-(2-hydroxypropyl)phenol.
What is the SMILES notation for 4-bromo-3-(2-hydroxypropyl)phenol?
The canonical SMILES for 4-bromo-3-(2-hydroxypropyl)phenol is CC(O)Cc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-(2-hydroxypropyl)phenol?
The InChIKey is RXCJZEXKZXLVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-6(11)4-7-5-8(12)2-3-9(7)10/h2-3,5-6,11-12H,4H2,1H3.
What are the key properties of 4-bromo-3-(2-hydroxypropyl)phenol?
4-bromo-3-(2-hydroxypropyl)phenol has a molecular weight of 231.09 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2-hydroxypropyl)phenol is sourced from PubChem (CID 117333494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).