2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol

C9H9BrF2O2 — CID 117420943

IUPAC2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
SMILESCOc1cc(F)c(CCO)c(F)c1Br
InChIInChI=1S/C9H9BrF2O2/c1-14-7-4-6(11)5(2-3-13)9(12)8(7)10/h4,13H,2-3H2,1H3
InChIKeySMKGLSQIWHVQDC-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol

2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol (PubChem CID 117420943) has the molecular formula C9H9BrF2O2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
PubChem CID117420943
Molecular FormulaC9H9BrF2O2
Molecular Weight267.07 g/mol
Exact Mass265.98
IUPAC Name2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
SMILESCOc1cc(F)c(CCO)c(F)c1Br
InChIInChI=1S/C9H9BrF2O2/c1-14-7-4-6(11)5(2-3-13)9(12)8(7)10/h4,13H,2-3H2,1H3
InChIKeySMKGLSQIWHVQDC-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanal
CID 117447245
1-(3-bromo-2,6-difluoro-4-methoxyphenyl)-N-methoxymethanamine
CID 117452889
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)propan-1-ol
CID 117451005
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
3-(bromomethyl)-4-ethylperoxy-1,2-difluoro-5-methoxybenzene
CID 164741411

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol (CID 117420943) is 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol is COc1cc(F)c(CCO)c(F)c1Br.
What is the InChIKey of 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol?
The InChIKey is SMKGLSQIWHVQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O2/c1-14-7-4-6(11)5(2-3-13)9(12)8(7)10/h4,13H,2-3H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol?
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol has a molecular weight of 267.07 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 117420943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).