2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol

C9H9BrF2O — CID 117380280

IUPAC2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
SMILESCc1cc(Br)c(F)c(CCO)c1F
InChIInChI=1S/C9H9BrF2O/c1-5-4-7(10)9(12)6(2-3-13)8(5)11/h4,13H,2-3H2,1H3
InChIKeyPXPJDEVRWQWQIA-UHFFFAOYSA-N
MW251.07 g/mol
LogP2.57
Rot. Bonds2

About 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol

2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol (PubChem CID 117380280) has the molecular formula C9H9BrF2O and a molecular weight of 251.07 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
PubChem CID117380280
Molecular FormulaC9H9BrF2O
Molecular Weight251.07 g/mol
Exact Mass249.98
IUPAC Name2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol
SMILESCc1cc(Br)c(F)c(CCO)c1F
InChIInChI=1S/C9H9BrF2O/c1-5-4-7(10)9(12)6(2-3-13)8(5)11/h4,13H,2-3H2,1H3
InChIKeyPXPJDEVRWQWQIA-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-2-fluoro-3,6-dimethylphenyl)propan-1-ol
CID 117406540
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
6-bromo-4-fluoro-2-(2-hydroxyethyl)-3-methylphenol
CID 117375119
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
CID 84706876
2-(2,3,5,6-tetrafluorophenyl)ethanol
CID 55267363
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
2-(3-bromo-2-methoxy-5,6-dimethylphenyl)ethanol
CID 117400973
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
3-(3-bromo-4-fluoro-5-methylphenyl)propanoic acid
CID 84710392
6-bromo-3,4-difluoro-2-(3-hydroxypropyl)phenol
CID 117420933

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol (CID 117380280) is 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol is Cc1cc(Br)c(F)c(CCO)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol?
The InChIKey is PXPJDEVRWQWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O/c1-5-4-7(10)9(12)6(2-3-13)8(5)11/h4,13H,2-3H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol?
2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol has a molecular weight of 251.07 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 117380280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).