(1R)-1-(3-bromophenyl)ethanol

C8H9BrO — CID 2734889

IUPAC(1R)-1-(3-bromophenyl)ethanol
SMILESC[C@@H](O)c1cccc(Br)c1
InChIInChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m1/s1
InChIKeyULMJQMDYAOJNCC-ZCFIWIBFSA-N
MW201.06 g/mol
LogP2.50
Rot. Bonds1

About (1R)-1-(3-bromophenyl)ethanol

(1R)-1-(3-bromophenyl)ethanol (PubChem CID 2734889) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)ethanol
PubChem CID2734889
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name(1R)-1-(3-bromophenyl)ethanol
SMILESC[C@@H](O)c1cccc(Br)c1
InChIInChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m1/s1
InChIKeyULMJQMDYAOJNCC-ZCFIWIBFSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)ethanol?
The IUPAC name of (1R)-1-(3-bromophenyl)ethanol (CID 2734889) is (1R)-1-(3-bromophenyl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromophenyl)ethanol?
The canonical SMILES for (1R)-1-(3-bromophenyl)ethanol is C[C@@H](O)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)ethanol?
The InChIKey is ULMJQMDYAOJNCC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(3-bromophenyl)ethanol?
(1R)-1-(3-bromophenyl)ethanol has a molecular weight of 201.06 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 2734889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).