1-(3-bromo-5-methylphenyl)ethanol

C9H11BrO — CID 84680750

IUPAC1-(3-bromo-5-methylphenyl)ethanol
SMILESCc1cc(Br)cc(C(C)O)c1
InChIInChI=1S/C9H11BrO/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5,7,11H,1-2H3
InChIKeyHRCLEYGAWYFHPZ-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.81
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)ethanol

1-(3-bromo-5-methylphenyl)ethanol (PubChem CID 84680750) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)ethanol
PubChem CID84680750
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-(3-bromo-5-methylphenyl)ethanol
SMILESCc1cc(Br)cc(C(C)O)c1
InChIInChI=1S/C9H11BrO/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5,7,11H,1-2H3
InChIKeyHRCLEYGAWYFHPZ-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[3-bromo-5-[(1R)-1-hydroxyethyl]phenyl]ethanol
CID 101105298
1-bromo-3-(1-chloroethyl)-5-methylbenzene
CID 130132226
3-amino-1-(3-bromo-5-methylphenyl)propane-1,2-diol
CID 170829300
1-(3-bromo-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171859224
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
1-(3-bromo-5-ethylphenyl)ethanol
CID 84692416
1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781909
2-(3-bromo-5-methylphenyl)-2-fluoroethanol
CID 178200098
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 113460971
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(2S)-1-(3-bromo-5-methylanilino)propan-2-ol
CID 107583258
(2S)-2-amino-2-(3-bromo-5-methylphenyl)acetic acid
CID 130864981

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-methylphenyl)ethanol (CID 84680750) is 1-(3-bromo-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)ethanol is Cc1cc(Br)cc(C(C)O)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)ethanol?
The InChIKey is HRCLEYGAWYFHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5,7,11H,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)ethanol?
1-(3-bromo-5-methylphenyl)ethanol has a molecular weight of 215.09 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)ethanol is sourced from PubChem (CID 84680750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).