2-bromo-1-(2-methoxyphenyl)ethanol

C9H11BrO2 — CID 53441093

IUPAC2-bromo-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CBr
InChIInChI=1S/C9H11BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,6H2,1H3
InChIKeyFROJNSZKFGHHNR-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.12
Rot. Bonds3

About 2-bromo-1-(2-methoxyphenyl)ethanol

2-bromo-1-(2-methoxyphenyl)ethanol (PubChem CID 53441093) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-bromo-1-(2-methoxyphenyl)ethanol
PubChem CID53441093
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-bromo-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)CBr
InChIInChI=1S/C9H11BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,6H2,1H3
InChIKeyFROJNSZKFGHHNR-UHFFFAOYSA-N
XLogP2.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-(2-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
3,4,4,4-tetrafluoro-1-(2-methoxyphenyl)-3-(trifluoromethyl)butan-1-ol
CID 156764449
2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol
CID 117060650
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
2-[2-(hydroxymethyl)phenyl]-1-(2-methoxyphenyl)ethanol
CID 102015925
(1S)-1-[2-(2,5-dibromo-4-methoxyphenoxy)phenyl]propan-1-ol
CID 103960654

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 2-bromo-1-(2-methoxyphenyl)ethanol (CID 53441093) is 2-bromo-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-bromo-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 2-bromo-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(O)CBr.
What is the InChIKey of 2-bromo-1-(2-methoxyphenyl)ethanol?
The InChIKey is FROJNSZKFGHHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8,11H,6H2,1H3.
What are the key properties of 2-bromo-1-(2-methoxyphenyl)ethanol?
2-bromo-1-(2-methoxyphenyl)ethanol has a molecular weight of 231.09 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 53441093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).