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

C17H11BrO4 — CID 71451250

IUPAC(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one
SMILESO=C1C=C(c2ccc(O)c(Br)c2)/C(=C/c2ccc(O)cc2)O1
InChIInChI=1S/C17H11BrO4/c18-14-8-11(3-6-15(14)20)13-9-17(21)22-16(13)7-10-1-4-12(19)5-2-10/h1-9,19-20H/b16-7-
InChIKeyIXURNKCVCIQLGL-APSNUPSMSA-N
MW359.18 g/mol
LogP3.84
Rot. Bonds2

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

(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one (PubChem CID 71451250) has the molecular formula C17H11BrO4 and a molecular weight of 359.18 g/mol. Its IUPAC name is (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one
PubChem CID71451250
Molecular FormulaC17H11BrO4
Molecular Weight359.18 g/mol
Exact Mass357.98
IUPAC Name(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one
SMILESO=C1C=C(c2ccc(O)c(Br)c2)/C(=C/c2ccc(O)cc2)O1
InChIInChI=1S/C17H11BrO4/c18-14-8-11(3-6-15(14)20)13-9-17(21)22-16(13)7-10-1-4-12(19)5-2-10/h1-9,19-20H/b16-7-
InChIKeyIXURNKCVCIQLGL-APSNUPSMSA-N
XLogP3.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.84
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-[(4-hydroxyphenyl)methylidene]furan-2-one?
The IUPAC name of (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one (CID 71451250) is (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one.
What is the SMILES notation for (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one?
The canonical SMILES for (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one is O=C1C=C(c2ccc(O)c(Br)c2)/C(=C/c2ccc(O)cc2)O1.
What is the InChIKey of (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one?
The InChIKey is IXURNKCVCIQLGL-APSNUPSMSA-N. The full InChI is InChI=1S/C17H11BrO4/c18-14-8-11(3-6-15(14)20)13-9-17(21)22-16(13)7-10-1-4-12(19)5-2-10/h1-9,19-20H/b16-7-.
What are the key properties of (5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one?
(5Z)-4-(3-bromo-4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2-one has a molecular weight of 359.18 g/mol, XLogP of 3.84, 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-[(4-hydroxyphenyl)methylidene]furan-2-one is sourced from PubChem (CID 71451250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).