(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol

C12H10BrFO3 — CID 61087633

IUPAC(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)c1ccc(Br)o1
InChIInChI=1S/C12H10BrFO3/c1-16-9-3-2-7(14)6-8(9)12(15)10-4-5-11(13)17-10/h2-6,12,15H,1H3
InChIKeyZXTVCIGXSFBSLQ-UHFFFAOYSA-N
MW301.11 g/mol
LogP3.27
Rot. Bonds3

About (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol

(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol (PubChem CID 61087633) has the molecular formula C12H10BrFO3 and a molecular weight of 301.11 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
PubChem CID61087633
Molecular FormulaC12H10BrFO3
Molecular Weight301.11 g/mol
Exact Mass299.98
IUPAC Name(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
SMILESCOc1ccc(F)cc1C(O)c1ccc(Br)o1
InChIInChI=1S/C12H10BrFO3/c1-16-9-3-2-7(14)6-8(9)12(15)10-4-5-11(13)17-10/h2-6,12,15H,1H3
InChIKeyZXTVCIGXSFBSLQ-UHFFFAOYSA-N
XLogP3.27
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-bromo-5-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
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(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
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(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
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3-(5-fluoro-2-methoxyphenyl)butan-2-ol
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3-bromo-1-(5-fluoro-2-methoxyphenyl)propane-1,2-diol
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(2,4-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The IUPAC name of (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol (CID 61087633) is (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol.
What is the SMILES notation for (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The canonical SMILES for (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol is COc1ccc(F)cc1C(O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
The InChIKey is ZXTVCIGXSFBSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO3/c1-16-9-3-2-7(14)6-8(9)12(15)10-4-5-11(13)17-10/h2-6,12,15H,1H3.
What are the key properties of (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol?
(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol has a molecular weight of 301.11 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol is sourced from PubChem (CID 61087633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).