(1R)-1-(2-bromo-5-chlorophenyl)ethanol

C8H8BrClO — CID 50852803

IUPAC(1R)-1-(2-bromo-5-chlorophenyl)ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H8BrClO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5,11H,1H3/t5-/m1/s1
InChIKeyHKYNVWVJIOXCQX-RXMQYKEDSA-N
MW235.51 g/mol
LogP3.16
Rot. Bonds1

About (1R)-1-(2-bromo-5-chlorophenyl)ethanol

(1R)-1-(2-bromo-5-chlorophenyl)ethanol (PubChem CID 50852803) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is (1R)-1-(2-bromo-5-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-bromo-5-chlorophenyl)ethanol
PubChem CID50852803
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name(1R)-1-(2-bromo-5-chlorophenyl)ethanol
SMILESC[C@@H](O)c1cc(Cl)ccc1Br
InChIInChI=1S/C8H8BrClO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5,11H,1H3/t5-/m1/s1
InChIKeyHKYNVWVJIOXCQX-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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)ethanol?
The IUPAC name of (1R)-1-(2-bromo-5-chlorophenyl)ethanol (CID 50852803) is (1R)-1-(2-bromo-5-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-1-(2-bromo-5-chlorophenyl)ethanol?
The canonical SMILES for (1R)-1-(2-bromo-5-chlorophenyl)ethanol is C[C@@H](O)c1cc(Cl)ccc1Br.
What is the InChIKey of (1R)-1-(2-bromo-5-chlorophenyl)ethanol?
The InChIKey is HKYNVWVJIOXCQX-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5,11H,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(2-bromo-5-chlorophenyl)ethanol?
(1R)-1-(2-bromo-5-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-(2-bromo-5-chlorophenyl)ethanol is sourced from PubChem (CID 50852803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).