(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol

C13H12Br2O4 — CID 116809674

IUPAC(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H12Br2O4/c1-17-8-4-3-5-9(18-2)11(8)12(16)10-6-7(14)13(15)19-10/h3-6,12,16H,1-2H3
InChIKeyAHGNHRTYXHTLHY-UHFFFAOYSA-N
MW392.04 g/mol
LogP3.90
Rot. Bonds4

About (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol

(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol (PubChem CID 116809674) has the molecular formula C13H12Br2O4 and a molecular weight of 392.04 g/mol. Its IUPAC name is (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
PubChem CID116809674
Molecular FormulaC13H12Br2O4
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol
SMILESCOc1cccc(OC)c1C(O)c1cc(Br)c(Br)o1
InChIInChI=1S/C13H12Br2O4/c1-17-8-4-3-5-9(18-2)11(8)12(16)10-6-7(14)13(15)19-10/h3-6,12,16H,1-2H3
InChIKeyAHGNHRTYXHTLHY-UHFFFAOYSA-N
XLogP3.90
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.04
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
(3-bromo-4-chlorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 116809848
(4,5-dibromofuran-2-yl)-(2-propoxyphenyl)methanol
CID 104658570
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
CID 115790186
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
(7-bromo-1-benzofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122296
(2-chloro-3-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838575

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol?
The IUPAC name of (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol (CID 116809674) is (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol.
What is the SMILES notation for (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol?
The canonical SMILES for (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol is COc1cccc(OC)c1C(O)c1cc(Br)c(Br)o1.
What is the InChIKey of (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol?
The InChIKey is AHGNHRTYXHTLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O4/c1-17-8-4-3-5-9(18-2)11(8)12(16)10-6-7(14)13(15)19-10/h3-6,12,16H,1-2H3.
What are the key properties of (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol?
(4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol has a molecular weight of 392.04 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromofuran-2-yl)-(2,6-dimethoxyphenyl)methanol is sourced from PubChem (CID 116809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).