2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol

C13H12BrFO3 — CID 117240583

IUPAC2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
SMILESOCC(COc1cccc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrFO3/c14-13-5-4-12(18-13)9(7-16)8-17-11-3-1-2-10(15)6-11/h1-6,9,16H,7-8H2
InChIKeyVEIPIEYVPDNNSM-UHFFFAOYSA-N
MW315.14 g/mol
LogP3.34
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol

2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol (PubChem CID 117240583) has the molecular formula C13H12BrFO3 and a molecular weight of 315.14 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
PubChem CID117240583
Molecular FormulaC13H12BrFO3
Molecular Weight315.14 g/mol
Exact Mass314.00
IUPAC Name2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol
SMILESOCC(COc1cccc(F)c1)c1ccc(Br)o1
InChIInChI=1S/C13H12BrFO3/c14-13-5-4-12(18-13)9(7-16)8-17-11-3-1-2-10(15)6-11/h1-6,9,16H,7-8H2
InChIKeyVEIPIEYVPDNNSM-UHFFFAOYSA-N
XLogP3.34
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.14
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
2-(5-bromofuran-2-yl)-3-(3-methylphenoxy)propan-1-amine
CID 117240560
3-(3-fluorophenoxy)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117243023
3-(3-chlorophenoxy)-2-(3-fluorophenyl)propan-1-ol
CID 117243052
2-[(3-fluorophenoxy)methyl]-3-thiophen-2-ylpropan-1-ol
CID 117246264
4-(3-fluorophenoxy)butane-1,3-diol
CID 117236747
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
1-(5-bromofuran-2-yl)-2-(3-chlorophenoxy)ethanamine
CID 117240114
2-(4-fluorophenyl)-3-(3-methoxyphenoxy)propan-1-ol
CID 117244926
2-(5-bromofuran-2-yl)-3-sulfanylpropan-1-ol
CID 117240749
2-(3-fluorophenyl)-3-(4-methylphenoxy)propan-1-ol
CID 117243108
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol?
The IUPAC name of 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol (CID 117240583) is 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol is OCC(COc1cccc(F)c1)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol?
The InChIKey is VEIPIEYVPDNNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO3/c14-13-5-4-12(18-13)9(7-16)8-17-11-3-1-2-10(15)6-11/h1-6,9,16H,7-8H2.
What are the key properties of 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol?
2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol has a molecular weight of 315.14 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3-(3-fluorophenoxy)propan-1-ol is sourced from PubChem (CID 117240583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).