(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one

C17H9Br3O4 — CID 10768197

IUPAC(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one
SMILESO=C1C=C(c2ccc(O)c(Br)c2)/C(=C/c2cc(Br)c(O)c(Br)c2)O1
InChIInChI=1S/C17H9Br3O4/c18-11-6-9(1-2-14(11)21)10-7-16(22)24-15(10)5-8-3-12(19)17(23)13(20)4-8/h1-7,21,23H/b15-5-
InChIKeyOKOHTQUUPAXKQZ-WCSRMQSCSA-N
MW516.97 g/mol
LogP5.37
Rot. Bonds2

About (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one

(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one (PubChem CID 10768197) has the molecular formula C17H9Br3O4 and a molecular weight of 516.97 g/mol. Its IUPAC name is (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one
PubChem CID10768197
Molecular FormulaC17H9Br3O4
Molecular Weight516.97 g/mol
Exact Mass513.81
IUPAC Name(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one
SMILESO=C1C=C(c2ccc(O)c(Br)c2)/C(=C/c2cc(Br)c(O)c(Br)c2)O1
InChIInChI=1S/C17H9Br3O4/c18-11-6-9(1-2-14(11)21)10-7-16(22)24-15(10)5-8-3-12(19)17(23)13(20)4-8/h1-7,21,23H/b15-5-
InChIKeyOKOHTQUUPAXKQZ-WCSRMQSCSA-N
XLogP5.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.97
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one (CID 10768197) is (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one is O=C1C=C(c2ccc(O)c(Br)c2)/C(=C/c2cc(Br)c(O)c(Br)c2)O1.
What is the InChIKey of (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one?
The InChIKey is OKOHTQUUPAXKQZ-WCSRMQSCSA-N. The full InChI is InChI=1S/C17H9Br3O4/c18-11-6-9(1-2-14(11)21)10-7-16(22)24-15(10)5-8-3-12(19)17(23)13(20)4-8/h1-7,21,23H/b15-5-.
What are the key properties of (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one?
(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one has a molecular weight of 516.97 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 10768197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).