7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one

C17H13BrO5 — CID 141359336

IUPAC7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1Br)OC(=Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C17H13BrO5/c1-21-11-8-12(22-2)15(18)17-14(11)16(20)13(23-17)7-9-3-5-10(19)6-4-9/h3-8,19H,1-2H3
InChIKeySWZNRUKYVGXQHF-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.79
Rot. Bonds3

About 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one

7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (PubChem CID 141359336) has the molecular formula C17H13BrO5 and a molecular weight of 377.19 g/mol. Its IUPAC name is 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
PubChem CID141359336
Molecular FormulaC17H13BrO5
Molecular Weight377.19 g/mol
Exact Mass375.99
IUPAC Name7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
SMILESCOc1cc(OC)c2c(c1Br)OC(=Cc1ccc(O)cc1)C2=O
InChIInChI=1S/C17H13BrO5/c1-21-11-8-12(22-2)15(18)17-14(11)16(20)13(23-17)7-9-3-5-10(19)6-4-9/h3-8,19H,1-2H3
InChIKeySWZNRUKYVGXQHF-UHFFFAOYSA-N
XLogP3.79
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-bromo-4,6-dimethoxy-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
CID 141359349
(2Z)-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 11949446
(2E)-2-[(4-hydroxyphenyl)methylidene]-7-(2-hydroxypropan-2-yl)-4-methoxy-6,7-dihydrofuro[3,2-g][1]benzofuran-3-one
CID 77106238
4-[(Z)-(7-bromo-6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
CID 171642094
(2Z)-7-bromo-2-[(2-chloro-4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 171642181
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
2-[(4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 578349
(2Z)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
CID 17476607
(2E)-5,6,7-trimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 10308825
(2Z)-5,7-dibromo-2-[(3-ethynyl-4-hydroxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 171642107
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-9-(4-hydroxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127252858
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
CID 10382733

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The IUPAC name of 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one (CID 141359336) is 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one.
What is the SMILES notation for 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The canonical SMILES for 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is COc1cc(OC)c2c(c1Br)OC(=Cc1ccc(O)cc1)C2=O.
What is the InChIKey of 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
The InChIKey is SWZNRUKYVGXQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrO5/c1-21-11-8-12(22-2)15(18)17-14(11)16(20)13(23-17)7-9-3-5-10(19)6-4-9/h3-8,19H,1-2H3.
What are the key properties of 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one?
7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one has a molecular weight of 377.19 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[(4-hydroxyphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one is sourced from PubChem (CID 141359336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).