1-(2-bromo-6-ethoxyphenyl)ethanol

C10H13BrO2 — CID 133057756

IUPAC1-(2-bromo-6-ethoxyphenyl)ethanol
SMILESCCOc1cccc(Br)c1C(C)O
InChIInChI=1S/C10H13BrO2/c1-3-13-9-6-4-5-8(11)10(9)7(2)12/h4-7,12H,3H2,1-2H3
InChIKeyKJIUQOQQENEHGH-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.90
Rot. Bonds3

About 1-(2-bromo-6-ethoxyphenyl)ethanol

1-(2-bromo-6-ethoxyphenyl)ethanol (PubChem CID 133057756) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-bromo-6-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-6-ethoxyphenyl)ethanol
PubChem CID133057756
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(2-bromo-6-ethoxyphenyl)ethanol
SMILESCCOc1cccc(Br)c1C(C)O
InChIInChI=1S/C10H13BrO2/c1-3-13-9-6-4-5-8(11)10(9)7(2)12/h4-7,12H,3H2,1-2H3
InChIKeyKJIUQOQQENEHGH-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dibromophenyl)ethanol
CID 117104086
2-amino-2-(2-bromo-6-ethoxyphenyl)ethanol
CID 83901907
2-ethoxy-6-[(1S)-1-hydroxyethyl]phenol
CID 130740621
2-ethoxy-6-[(1R)-1-hydroxyethyl]phenol
CID 130649136
(1S)-1-(2-ethoxynaphthalen-1-yl)ethanol
CID 95420561
2-bromo-6-ethoxybenzenethiol
CID 91874370
(2-bromo-6-ethoxyphenyl)phosphonic acid
CID 175587032
2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
3-ethoxy-2-propan-2-ylaniline
CID 154678316
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
2-bromo-1-(3-bromo-2-ethoxyphenyl)propan-1-one
CID 134618841

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-ethoxyphenyl)ethanol?
The IUPAC name of 1-(2-bromo-6-ethoxyphenyl)ethanol (CID 133057756) is 1-(2-bromo-6-ethoxyphenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-6-ethoxyphenyl)ethanol?
The canonical SMILES for 1-(2-bromo-6-ethoxyphenyl)ethanol is CCOc1cccc(Br)c1C(C)O.
What is the InChIKey of 1-(2-bromo-6-ethoxyphenyl)ethanol?
The InChIKey is KJIUQOQQENEHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-3-13-9-6-4-5-8(11)10(9)7(2)12/h4-7,12H,3H2,1-2H3.
What are the key properties of 1-(2-bromo-6-ethoxyphenyl)ethanol?
1-(2-bromo-6-ethoxyphenyl)ethanol has a molecular weight of 245.12 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-ethoxyphenyl)ethanol is sourced from PubChem (CID 133057756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).