(2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol

C17H15BrO4 — CID 7374973

IUPAC(2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol
SMILESCOc1cc(Br)c(/C=C2\Oc3ccccc3[C@H]2O)cc1OC
InChIInChI=1S/C17H15BrO4/c1-20-14-7-10(12(18)9-15(14)21-2)8-16-17(19)11-5-3-4-6-13(11)22-16/h3-9,17,19H,1-2H3/b16-8-/t17-/m1/s1
InChIKeyWHGSFZMKLCWXDR-QOTSWMAJSA-N
MW363.21 g/mol
LogP3.93
Rot. Bonds3

About (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol

(2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol (PubChem CID 7374973) has the molecular formula C17H15BrO4 and a molecular weight of 363.21 g/mol. Its IUPAC name is (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol.

Molecular Properties

Compound Name(2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol
PubChem CID7374973
Molecular FormulaC17H15BrO4
Molecular Weight363.21 g/mol
Exact Mass362.02
IUPAC Name(2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol
SMILESCOc1cc(Br)c(/C=C2\Oc3ccccc3[C@H]2O)cc1OC
InChIInChI=1S/C17H15BrO4/c1-20-14-7-10(12(18)9-15(14)21-2)8-16-17(19)11-5-3-4-6-13(11)22-16/h3-9,17,19H,1-2H3/b16-8-/t17-/m1/s1
InChIKeyWHGSFZMKLCWXDR-QOTSWMAJSA-N
XLogP3.93
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol?
The IUPAC name of (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol (CID 7374973) is (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol.
What is the SMILES notation for (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol?
The canonical SMILES for (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol is COc1cc(Br)c(/C=C2\Oc3ccccc3[C@H]2O)cc1OC.
What is the InChIKey of (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol?
The InChIKey is WHGSFZMKLCWXDR-QOTSWMAJSA-N. The full InChI is InChI=1S/C17H15BrO4/c1-20-14-7-10(12(18)9-15(14)21-2)8-16-17(19)11-5-3-4-6-13(11)22-16/h3-9,17,19H,1-2H3/b16-8-/t17-/m1/s1.
What are the key properties of (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol?
(2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol has a molecular weight of 363.21 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3H-1-benzofuran-3-ol is sourced from PubChem (CID 7374973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).