(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol

C13H13BrO3 — CID 106855309

IUPAC(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccoc2Br)cc1
InChIInChI=1S/C13H13BrO3/c1-2-16-10-5-3-9(4-6-10)12(15)11-7-8-17-13(11)14/h3-8,12,15H,2H2,1H3
InChIKeyDRKBLZWOOFPHTG-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.52
Rot. Bonds4

About (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol

(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol (PubChem CID 106855309) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
PubChem CID106855309
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccoc2Br)cc1
InChIInChI=1S/C13H13BrO3/c1-2-16-10-5-3-9(4-6-10)12(15)11-7-8-17-13(11)14/h3-8,12,15H,2H2,1H3
InChIKeyDRKBLZWOOFPHTG-UHFFFAOYSA-N
XLogP3.52
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(2-chloro-4,5-diethoxyphenyl)methanol
CID 106855351
(4-benzylphenyl)-(2-bromofuran-3-yl)methanol
CID 106855403
(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
(4-ethoxyphenyl)-(furan-3-yl)methanol
CID 61100737
amino-(4-ethoxyphenyl)methanol
CID 116939610
(4-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
CID 61101078
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153
[(2-bromofuran-3-yl)-(4-propoxyphenyl)methyl]hydrazine
CID 106859886
3-amino-1-(2-bromofuran-3-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 106856327
(2,3-dimethylphenyl)-(4-ethoxyphenyl)methanol
CID 61100219
(4-ethoxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153070

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol (CID 106855309) is (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol is CCOc1ccc(C(O)c2ccoc2Br)cc1.
What is the InChIKey of (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol?
The InChIKey is DRKBLZWOOFPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c1-2-16-10-5-3-9(4-6-10)12(15)11-7-8-17-13(11)14/h3-8,12,15H,2H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol?
(2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol has a molecular weight of 297.15 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(4-ethoxyphenyl)methanol is sourced from PubChem (CID 106855309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).