(1R)-1-(3-bromo-4-chlorophenyl)ethanol

C8H8BrClO — CID 112756230

IUPAC(1R)-1-(3-bromo-4-chlorophenyl)ethanol
SMILESC[C@@H](O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H8BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3/t5-/m1/s1
InChIKeyRGOUFUGNDAWVER-RXMQYKEDSA-N
MW235.51 g/mol
LogP3.16
Rot. Bonds1

About (1R)-1-(3-bromo-4-chlorophenyl)ethanol

(1R)-1-(3-bromo-4-chlorophenyl)ethanol (PubChem CID 112756230) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-chlorophenyl)ethanol
PubChem CID112756230
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name(1R)-1-(3-bromo-4-chlorophenyl)ethanol
SMILESC[C@@H](O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H8BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3/t5-/m1/s1
InChIKeyRGOUFUGNDAWVER-RXMQYKEDSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
(1S,2R)-1-amino-1-(3-bromo-4-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171267803
(1S)-1-[3-bromo-4-(4-bromo-2,5-dichlorophenoxy)phenyl]ethanol
CID 107659040
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
(3-bromo-4-chlorophenyl)-(4-butan-2-ylphenyl)methanol
CID 107991127
1-(3-bromo-4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 83240387
(1S)-1-(3-bromo-4-chlorophenyl)prop-2-yn-1-ol
CID 130563381
methyl 2-(3-bromo-4-chlorophenyl)propanoate
CID 105426693
sodium (3-bromo-4-chlorophenyl)-hydroxymethanesulfonate
CID 103574060
1-[3-bromo-4-(4-chloro-3-methylphenoxy)phenyl]ethanol
CID 63539732
(1R,2S)-1-amino-1-(3-bromo-4-chlorophenyl)-5-methylhexan-2-ol
CID 171262140
2-bromo-1-chloro-4-(dimethoxymethyl)benzene
CID 15300643

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-chlorophenyl)ethanol?
The IUPAC name of (1R)-1-(3-bromo-4-chlorophenyl)ethanol (CID 112756230) is (1R)-1-(3-bromo-4-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromo-4-chlorophenyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromo-4-chlorophenyl)ethanol is C[C@@H](O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-chlorophenyl)ethanol?
The InChIKey is RGOUFUGNDAWVER-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-chlorophenyl)ethanol?
(1R)-1-(3-bromo-4-chlorophenyl)ethanol has a molecular weight of 235.51 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-chlorophenyl)ethanol is sourced from PubChem (CID 112756230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).