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

C17H10Br2O4 — CID 11112944

IUPAC(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESO=C1C=C(c2ccc(O)cc2)/C(=C/c2cc(Br)c(O)c(Br)c2)O1
InChIInChI=1S/C17H10Br2O4/c18-13-5-9(6-14(19)17(13)22)7-15-12(8-16(21)23-15)10-1-3-11(20)4-2-10/h1-8,20,22H/b15-7-
InChIKeyPRKUARCLWYBVAL-CHHVJCJISA-N
MW438.07 g/mol
LogP4.60
Rot. Bonds2

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

(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (PubChem CID 11112944) has the molecular formula C17H10Br2O4 and a molecular weight of 438.07 g/mol. Its IUPAC name is (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
PubChem CID11112944
Molecular FormulaC17H10Br2O4
Molecular Weight438.07 g/mol
Exact Mass435.89
IUPAC Name(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESO=C1C=C(c2ccc(O)cc2)/C(=C/c2cc(Br)c(O)c(Br)c2)O1
InChIInChI=1S/C17H10Br2O4/c18-13-5-9(6-14(19)17(13)22)7-15-12(8-16(21)23-15)10-1-3-11(20)4-2-10/h1-8,20,22H/b15-7-
InChIKeyPRKUARCLWYBVAL-CHHVJCJISA-N
XLogP4.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.07
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The IUPAC name of (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (CID 11112944) is (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.
What is the SMILES notation for (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The canonical SMILES for (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is O=C1C=C(c2ccc(O)cc2)/C(=C/c2cc(Br)c(O)c(Br)c2)O1.
What is the InChIKey of (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The InChIKey is PRKUARCLWYBVAL-CHHVJCJISA-N. The full InChI is InChI=1S/C17H10Br2O4/c18-13-5-9(6-14(19)17(13)22)7-15-12(8-16(21)23-15)10-1-3-11(20)4-2-10/h1-8,20,22H/b15-7-.
What are the key properties of (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one has a molecular weight of 438.07 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is sourced from PubChem (CID 11112944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).