2-bromo-2-(3-methoxyphenyl)ethanol

C9H11BrO2 — CID 22371552

IUPAC2-bromo-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(Br)CO)c1
InChIInChI=1S/C9H11BrO2/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyLVIFGQYDUQUZNA-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.12
Rot. Bonds3

About 2-bromo-2-(3-methoxyphenyl)ethanol

2-bromo-2-(3-methoxyphenyl)ethanol (PubChem CID 22371552) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-bromo-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-bromo-2-(3-methoxyphenyl)ethanol
PubChem CID22371552
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-bromo-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(Br)CO)c1
InChIInChI=1S/C9H11BrO2/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyLVIFGQYDUQUZNA-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'}

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Related Compounds

2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol
CID 162862647
4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276
(3S)-4-hydroxy-3-(3-methoxyphenyl)-2-methylbutanamide
CID 140960898
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
(2R)-2-[1-(3-methoxyphenyl)propylamino]propan-1-ol
CID 103778510
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 81135235
1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-bromo-2-(3-methoxyphenyl)ethanol (CID 22371552) is 2-bromo-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-bromo-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-bromo-2-(3-methoxyphenyl)ethanol is COc1cccc(C(Br)CO)c1.
What is the InChIKey of 2-bromo-2-(3-methoxyphenyl)ethanol?
The InChIKey is LVIFGQYDUQUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-bromo-2-(3-methoxyphenyl)ethanol?
2-bromo-2-(3-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-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 22371552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).