1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol

C9H11BrO2 — CID 174370135

IUPAC1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol
SMILESCC(O)c1ccc(Br)c(CO)c1
InChIInChI=1S/C9H11BrO2/c1-6(12)7-2-3-9(10)8(4-7)5-11/h2-4,6,11-12H,5H2,1H3
InChIKeyCATDFUFQLUIQHA-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.99
Rot. Bonds2

About 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol

1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol (PubChem CID 174370135) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol
PubChem CID174370135
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol
SMILESCC(O)c1ccc(Br)c(CO)c1
InChIInChI=1S/C9H11BrO2/c1-6(12)7-2-3-9(10)8(4-7)5-11/h2-4,6,11-12H,5H2,1H3
InChIKeyCATDFUFQLUIQHA-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-bromo-4-chlorophenyl)ethanol
CID 112756230
1-(3-bromo-4-ethylsulfanylphenyl)ethanol
CID 63813802
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]propan-1-ol
CID 104552647
3-[2-bromo-4-(1-hydroxyethyl)phenyl]sulfanyl-2-methylpropan-1-ol
CID 66103220
1-[4-bromo-3-(hydroxymethyl)phenyl]propan-1-one
CID 118819058
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
1-(4-bromo-3-nitrophenyl)ethanol
CID 25170823
(1S)-1-[3-bromo-4-(diethylamino)phenyl]ethanol
CID 78939147
1-[4-bromo-3-(hydroxymethyl)phenyl]ethanone
CID 118573514
1-[4-(bromomethyl)-3-chlorophenyl]ethanol
CID 54433741
(1R)-1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanol
CID 78951403
(2-bromo-5-prop-1-en-2-ylphenyl)methanol
CID 175563354

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol (CID 174370135) is 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol is CC(O)c1ccc(Br)c(CO)c1.
What is the InChIKey of 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol?
The InChIKey is CATDFUFQLUIQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-6(12)7-2-3-9(10)8(4-7)5-11/h2-4,6,11-12H,5H2,1H3.
What are the key properties of 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol?
1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol has a molecular weight of 231.09 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(hydroxymethyl)phenyl]ethanol is sourced from PubChem (CID 174370135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).