1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol

C10H10BrFO2 — CID 171366869

IUPAC1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1c(F)ccc(OC)c1Br
InChIInChI=1S/C10H10BrFO2/c1-3-7(13)9-6(12)4-5-8(14-2)10(9)11/h3-5,7,13H,1H2,2H3
InChIKeySEXYFQCSPLVGFD-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.82
Rot. Bonds3

About 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol

1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol (PubChem CID 171366869) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol
PubChem CID171366869
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1c(F)ccc(OC)c1Br
InChIInChI=1S/C10H10BrFO2/c1-3-7(13)9-6(12)4-5-8(14-2)10(9)11/h3-5,7,13H,1H2,2H3
InChIKeySEXYFQCSPLVGFD-UHFFFAOYSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-6-fluoro-3-methoxyphenyl)-2,2,2-trifluoroethanol
CID 164894852
1-(2,6-dimethoxyphenyl)prop-2-en-1-ol
CID 115814673
1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
CID 115814951
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
(2-bromo-6-fluoro-3-methoxyphenyl)-methylborinic acid
CID 123761758
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171215724
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
1-(4-bromo-2-methoxyphenyl)prop-2-en-1-ol
CID 115814693
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
2-(5-bromo-2-methoxyphenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115779347
N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807297

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol (CID 171366869) is 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol is C=CC(O)c1c(F)ccc(OC)c1Br.
What is the InChIKey of 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is SEXYFQCSPLVGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c1-3-7(13)9-6(12)4-5-8(14-2)10(9)11/h3-5,7,13H,1H2,2H3.
What are the key properties of 1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol?
1-(2-bromo-6-fluoro-3-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 261.09 g/mol, XLogP of 2.82, 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-fluoro-3-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 171366869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).