2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol

C10H12BrFO3 — CID 117447344

IUPAC2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(CCO)c(F)c(Br)c1OC
InChIInChI=1S/C10H12BrFO3/c1-14-7-5-6(3-4-13)9(12)8(11)10(7)15-2/h5,13H,3-4H2,1-2H3
InChIKeyRUDUDBKAGVKMMK-UHFFFAOYSA-N
MW279.11 g/mol
LogP2.14
Rot. Bonds4

About 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol (PubChem CID 117447344) has the molecular formula C10H12BrFO3 and a molecular weight of 279.11 g/mol. Its IUPAC name is 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
PubChem CID117447344
Molecular FormulaC10H12BrFO3
Molecular Weight279.11 g/mol
Exact Mass278.00
IUPAC Name2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
SMILESCOc1cc(CCO)c(F)c(Br)c1OC
InChIInChI=1S/C10H12BrFO3/c1-14-7-5-6(3-4-13)9(12)8(11)10(7)15-2/h5,13H,3-4H2,1-2H3
InChIKeyRUDUDBKAGVKMMK-UHFFFAOYSA-N
XLogP2.14
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)acetic acid
CID 117472876
1-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117491337
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492174
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol (CID 117447344) is 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol is COc1cc(CCO)c(F)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol?
The InChIKey is RUDUDBKAGVKMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO3/c1-14-7-5-6(3-4-13)9(12)8(11)10(7)15-2/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol?
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol has a molecular weight of 279.11 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117447344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).