(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol

C15H17BrO3S — CID 105057093

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H17BrO3S/c1-4-9-5-6-20-15(9)14(17)10-7-13(19-3)11(16)8-12(10)18-2/h5-8,14,17H,4H2,1-3H3
InChIKeyDMJAHQHYRCVSMX-UHFFFAOYSA-N
MW357.27 g/mol
LogP4.17
Rot. Bonds5

About (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol

(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol (PubChem CID 105057093) has the molecular formula C15H17BrO3S and a molecular weight of 357.27 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
PubChem CID105057093
Molecular FormulaC15H17BrO3S
Molecular Weight357.27 g/mol
Exact Mass356.01
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
SMILESCCc1ccsc1C(O)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C15H17BrO3S/c1-4-9-5-6-20-15(9)14(17)10-7-13(19-3)11(16)8-12(10)18-2/h5-8,14,17H,4H2,1-3H3
InChIKeyDMJAHQHYRCVSMX-UHFFFAOYSA-N
XLogP4.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol (CID 105057093) is (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol is CCc1ccsc1C(O)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol?
The InChIKey is DMJAHQHYRCVSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO3S/c1-4-9-5-6-20-15(9)14(17)10-7-13(19-3)11(16)8-12(10)18-2/h5-8,14,17H,4H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol has a molecular weight of 357.27 g/mol, XLogP of 4.17, 5 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)-(3-ethylthiophen-2-yl)methanol is sourced from PubChem (CID 105057093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).