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

C13H13BrO3 — CID 63941239

IUPAC(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1occc1Br
InChIInChI=1S/C13H13BrO3/c1-2-16-11-6-4-3-5-9(11)12(15)13-10(14)7-8-17-13/h3-8,12,15H,2H2,1H3
InChIKeyOULQSQJPNBLXIH-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.52
Rot. Bonds4

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

(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol (PubChem CID 63941239) has the molecular formula C13H13BrO3 and a molecular weight of 297.15 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
PubChem CID63941239
Molecular FormulaC13H13BrO3
Molecular Weight297.15 g/mol
Exact Mass296.00
IUPAC Name(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
SMILESCCOc1ccccc1C(O)c1occc1Br
InChIInChI=1S/C13H13BrO3/c1-2-16-11-6-4-3-5-9(11)12(15)13-10(14)7-8-17-13/h3-8,12,15H,2H2,1H3
InChIKeyOULQSQJPNBLXIH-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

(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466
(3-bromofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105099514
(3-bromofuran-2-yl)-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63942614
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832
(2-ethoxyphenyl)-(3-methylfuran-2-yl)methanamine
CID 113455148
(2-ethoxyphenyl)-(2-ethylphenyl)methanol
CID 63900742
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
(5-chlorofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 106693712
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(2-ethoxyphenyl)-(4-methylsulfonylphenyl)methanol
CID 115795717

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol (CID 63941239) is (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol is CCOc1ccccc1C(O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol?
The InChIKey is OULQSQJPNBLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO3/c1-2-16-11-6-4-3-5-9(11)12(15)13-10(14)7-8-17-13/h3-8,12,15H,2H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol?
(3-bromofuran-2-yl)-(2-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 (3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol is sourced from PubChem (CID 63941239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).