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

C17H9Br2ClO4 — CID 10027775

IUPAC(5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESO=C1O/C(=C\c2cc(Br)c(O)c(Br)c2)C(c2ccc(O)cc2)=C1Cl
InChIInChI=1S/C17H9Br2ClO4/c18-11-5-8(6-12(19)16(11)22)7-13-14(15(20)17(23)24-13)9-1-3-10(21)4-2-9/h1-7,21-22H/b13-7-
InChIKeyFQHRNOPXDAVPCA-QPEQYQDCSA-N
MW472.52 g/mol
LogP5.17
Rot. Bonds2

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

(5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (PubChem CID 10027775) has the molecular formula C17H9Br2ClO4 and a molecular weight of 472.52 g/mol. Its IUPAC name is (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
PubChem CID10027775
Molecular FormulaC17H9Br2ClO4
Molecular Weight472.52 g/mol
Exact Mass469.86
IUPAC Name(5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESO=C1O/C(=C\c2cc(Br)c(O)c(Br)c2)C(c2ccc(O)cc2)=C1Cl
InChIInChI=1S/C17H9Br2ClO4/c18-11-5-8(6-12(19)16(11)22)7-13-14(15(20)17(23)24-13)9-1-3-10(21)4-2-9/h1-7,21-22H/b13-7-
InChIKeyFQHRNOPXDAVPCA-QPEQYQDCSA-N
XLogP5.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The IUPAC name of (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (CID 10027775) is (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.
What is the SMILES notation for (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The canonical SMILES for (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is O=C1O/C(=C\c2cc(Br)c(O)c(Br)c2)C(c2ccc(O)cc2)=C1Cl.
What is the InChIKey of (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The InChIKey is FQHRNOPXDAVPCA-QPEQYQDCSA-N. The full InChI is InChI=1S/C17H9Br2ClO4/c18-11-5-8(6-12(19)16(11)22)7-13-14(15(20)17(23)24-13)9-1-3-10(21)4-2-9/h1-7,21-22H/b13-7-.
What are the key properties of (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
(5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one has a molecular weight of 472.52 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-chloro-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is sourced from PubChem (CID 10027775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).