(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol

C13H12Br2O4 — CID 105057068

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
SMILESCOc1cc(C(O)c2ccc(Br)o2)c(OC)cc1Br
InChIInChI=1S/C13H12Br2O4/c1-17-10-6-8(14)11(18-2)5-7(10)13(16)9-3-4-12(15)19-9/h3-6,13,16H,1-2H3
InChIKeyMSZVHDMMLIYSAM-UHFFFAOYSA-N
MW392.04 g/mol
LogP3.90
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol

(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol (PubChem CID 105057068) has the molecular formula C13H12Br2O4 and a molecular weight of 392.04 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
PubChem CID105057068
Molecular FormulaC13H12Br2O4
Molecular Weight392.04 g/mol
Exact Mass389.91
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
SMILESCOc1cc(C(O)c2ccc(Br)o2)c(OC)cc1Br
InChIInChI=1S/C13H12Br2O4/c1-17-10-6-8(14)11(18-2)5-7(10)13(16)9-3-4-12(15)19-9/h3-6,13,16H,1-2H3
InChIKeyMSZVHDMMLIYSAM-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

(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087633
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
CID 63440860
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
CID 105056992
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(5-bromofuran-2-yl)-(4-methoxyphenyl)methanol
CID 61099698
(5-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 105057050
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(5-bromo-2-methoxy-4-methylphenyl)-(5-ethylfuran-2-yl)methanol
CID 79084452
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
CID 105057022

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol (CID 105057068) is (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol is COc1cc(C(O)c2ccc(Br)o2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol?
The InChIKey is MSZVHDMMLIYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O4/c1-17-10-6-8(14)11(18-2)5-7(10)13(16)9-3-4-12(15)19-9/h3-6,13,16H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)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-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol is sourced from PubChem (CID 105057068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).