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

C13H12Br2O3S — CID 105056992

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
SMILESCOc1cc(C(O)c2ccc(Br)s2)c(OC)cc1Br
InChIInChI=1S/C13H12Br2O3S/c1-17-9-6-8(14)10(18-2)5-7(9)13(16)11-3-4-12(15)19-11/h3-6,13,16H,1-2H3
InChIKeyZIHDLRFGHCROOG-UHFFFAOYSA-N
MW408.11 g/mol
LogP4.37
Rot. Bonds4

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

(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol (PubChem CID 105056992) has the molecular formula C13H12Br2O3S and a molecular weight of 408.11 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
PubChem CID105056992
Molecular FormulaC13H12Br2O3S
Molecular Weight408.11 g/mol
Exact Mass405.89
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol
SMILESCOc1cc(C(O)c2ccc(Br)s2)c(OC)cc1Br
InChIInChI=1S/C13H12Br2O3S/c1-17-9-6-8(14)10(18-2)5-7(9)13(16)11-3-4-12(15)19-11/h3-6,13,16H,1-2H3
InChIKeyZIHDLRFGHCROOG-UHFFFAOYSA-N
XLogP4.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.11
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanol
CID 61081754
(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
CID 105057068
(5-bromothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 61081568
(5-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 61104551
(5-bromothiophen-2-yl)-(4-methoxy-3-methylphenyl)methanol
CID 61082457
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-2-yl)ethanol
CID 63893838
(2-bromo-5-fluorophenyl)-(5-bromothiophen-2-yl)methanol
CID 61081150
2-[bromo-(4-bromo-2,5-dimethoxyphenyl)methyl]-5-methylthiophene
CID 105057371
(2-bromo-4-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107991354
(4-bromo-2,5-dimethoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 105057003
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(4-bromo-3-methoxyanilino)-(5-bromothiophen-2-yl)methanol
CID 167190299

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol (CID 105056992) is (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol is COc1cc(C(O)c2ccc(Br)s2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol?
The InChIKey is ZIHDLRFGHCROOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O3S/c1-17-9-6-8(14)10(18-2)5-7(9)13(16)11-3-4-12(15)19-11/h3-6,13,16H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(5-bromothiophen-2-yl)methanol has a molecular weight of 408.11 g/mol, XLogP of 4.37, 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-bromothiophen-2-yl)methanol is sourced from PubChem (CID 105056992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).