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

C18H13BrO4 — CID 71454812

IUPAC(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C=C2c2ccc(O)cc2)cc1Br
InChIInChI=1S/C18H13BrO4/c1-22-16-7-2-11(8-15(16)19)9-17-14(10-18(21)23-17)12-3-5-13(20)6-4-12/h2-10,20H,1H3/b17-9-
InChIKeySBQQSAMGOOULLE-MFOYZWKCSA-N
MW373.20 g/mol
LogP4.14
Rot. Bonds3

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

(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (PubChem CID 71454812) has the molecular formula C18H13BrO4 and a molecular weight of 373.20 g/mol. Its IUPAC name is (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
PubChem CID71454812
Molecular FormulaC18H13BrO4
Molecular Weight373.20 g/mol
Exact Mass372.00
IUPAC Name(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one
SMILESCOc1ccc(/C=C2\OC(=O)C=C2c2ccc(O)cc2)cc1Br
InChIInChI=1S/C18H13BrO4/c1-22-16-7-2-11(8-15(16)19)9-17-14(10-18(21)23-17)12-3-5-13(20)6-4-12/h2-10,20H,1H3/b17-9-
InChIKeySBQQSAMGOOULLE-MFOYZWKCSA-N
XLogP4.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The IUPAC name of (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one (CID 71454812) is (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one.
What is the SMILES notation for (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The canonical SMILES for (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is COc1ccc(/C=C2\OC(=O)C=C2c2ccc(O)cc2)cc1Br.
What is the InChIKey of (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
The InChIKey is SBQQSAMGOOULLE-MFOYZWKCSA-N. The full InChI is InChI=1S/C18H13BrO4/c1-22-16-7-2-11(8-15(16)19)9-17-14(10-18(21)23-17)12-3-5-13(20)6-4-12/h2-10,20H,1H3/b17-9-.
What are the key properties of (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one?
(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one has a molecular weight of 373.20 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-(4-hydroxyphenyl)furan-2-one is sourced from PubChem (CID 71454812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).