2-(2-bromo-5-methoxyphenyl)ethanol

C9H11BrO2 — CID 10489678

IUPAC2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CCO)c1
InChIInChI=1S/C9H11BrO2/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6,11H,4-5H2,1H3
InChIKeyNCVWURWGRQEAAU-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-bromo-5-methoxyphenyl)ethanol

2-(2-bromo-5-methoxyphenyl)ethanol (PubChem CID 10489678) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)ethanol
PubChem CID10489678
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-(2-bromo-5-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(CCO)c1
InChIInChI=1S/C9H11BrO2/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6,11H,4-5H2,1H3
InChIKeyNCVWURWGRQEAAU-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-5-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-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-[(2-bromo-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852401
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
4-(2-bromo-5-methoxyphenyl)-1-methoxybutan-2-ol
CID 65326801
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
O-methyl 2-(2-bromo-5-methoxyphenyl)ethanethioate
CID 146285646
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
1-(2-bromo-5-methoxyphenyl)heptan-4-one
CID 65325757

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)ethanol (CID 10489678) is 2-(2-bromo-5-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)ethanol is COc1ccc(Br)c(CCO)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)ethanol?
The InChIKey is NCVWURWGRQEAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)ethanol?
2-(2-bromo-5-methoxyphenyl)ethanol has a molecular weight of 231.09 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)ethanol is sourced from PubChem (CID 10489678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).