(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one

C19H17ClO4 — CID 10315518

IUPAC(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one
SMILESCCCOc1c(OC)ccc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2
InChIInChI=1S/C19H17ClO4/c1-3-10-23-19-15(22-2)9-8-14-17(19)18(21)16(24-14)11-12-4-6-13(20)7-5-12/h4-9,11H,3,10H2,1-2H3/b16-11-
InChIKeyRFTQJWGTTTXKRS-WJDWOHSUSA-N
MW344.79 g/mol
LogP4.75
Rot. Bonds5

About (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one

(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one (PubChem CID 10315518) has the molecular formula C19H17ClO4 and a molecular weight of 344.79 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one
PubChem CID10315518
Molecular FormulaC19H17ClO4
Molecular Weight344.79 g/mol
Exact Mass344.08
IUPAC Name(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one
SMILESCCCOc1c(OC)ccc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2
InChIInChI=1S/C19H17ClO4/c1-3-10-23-19-15(22-2)9-8-14-17(19)18(21)16(24-14)11-12-4-6-13(20)7-5-12/h4-9,11H,3,10H2,1-2H3/b16-11-
InChIKeyRFTQJWGTTTXKRS-WJDWOHSUSA-N
XLogP4.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4,5-dimethoxy-1-benzofuran-3-one
CID 10382733
6-hydroxy-2-[(3-methoxy-4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 54352699
(2Z)-2-[(4-chlorophenyl)methylidene]-6-methylfuro[3,2-c]pyran-3,4-dione
CID 51350863
(2Z)-2-[[4-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one
CID 45028845
2-[(4-butylphenyl)methylidene]-4,6-dimethoxy-1-benzofuran-3-one
CID 73150985
2-[(4-chlorophenyl)methylidene]-4,6-bis(methoxymethoxy)-5,7-dimethyl-1-benzofuran-3-one
CID 75953781
(8E)-8-[(4-chlorophenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
CID 5390931
4,6-dihydroxy-2-[(4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 91214712
(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one
CID 18823848
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3785166
methane;(2Z)-4-methoxy-6-methyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 157455661
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one (CID 10315518) is (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one is CCCOc1c(OC)ccc2c1C(=O)/C(=C/c1ccc(Cl)cc1)O2.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one?
The InChIKey is RFTQJWGTTTXKRS-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H17ClO4/c1-3-10-23-19-15(22-2)9-8-14-17(19)18(21)16(24-14)11-12-4-6-13(20)7-5-12/h4-9,11H,3,10H2,1-2H3/b16-11-.
What are the key properties of (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one?
(2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one has a molecular weight of 344.79 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)methylidene]-5-methoxy-4-propoxy-1-benzofuran-3-one is sourced from PubChem (CID 10315518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).