(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one

C24H28O4 — CID 18823848

IUPAC(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one
SMILESCCCCCCOc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1OC
InChIInChI=1S/C24H28O4/c1-5-6-7-8-11-27-20-10-9-18(14-22(20)26-4)15-23-24(25)19-12-16(2)17(3)13-21(19)28-23/h9-10,12-15H,5-8,11H2,1-4H3/b23-15-
InChIKeyVCXPUSWARMUGJK-HAHDFKILSA-N
MW380.48 g/mol
LogP5.89
Rot. Bonds8

About (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one

(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one (PubChem CID 18823848) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one
PubChem CID18823848
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one
SMILESCCCCCCOc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1OC
InChIInChI=1S/C24H28O4/c1-5-6-7-8-11-27-20-10-9-18(14-22(20)26-4)15-23-24(25)19-12-16(2)17(3)13-21(19)28-23/h9-10,12-15H,5-8,11H2,1-4H3/b23-15-
InChIKeyVCXPUSWARMUGJK-HAHDFKILSA-N
XLogP5.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-2-[(3-methoxy-4-propoxyphenyl)methylidene]-1-benzofuran-3-one
CID 54352699
3-[4-[(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2-methoxyphenoxy]propanoic acid
CID 91944229
(2Z)-5,6-dimethyl-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 18823789
(2Z)-2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823547
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methoxy-5-methyl-1-benzofuran-3-one
CID 135053016
2-[(3,4-dimethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5096301
(3E)-3-[(3-methoxy-4-nonoxyphenyl)methylidene]-1-propylpiperidin-4-one
CID 110532361
1-heptoxy-2-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 19170401
(4Z)-2-(4-hexoxyphenyl)-4-[(3-methoxy-4-octoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 170458914
2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
CID 4837017
(3E)-3-[(3-methoxy-4-pentoxyphenyl)methylidene]-1-methylpiperidin-4-one
CID 110537750
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one (CID 18823848) is (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one is CCCCCCOc1ccc(/C=C2\Oc3cc(C)c(C)cc3C2=O)cc1OC.
What is the InChIKey of (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one?
The InChIKey is VCXPUSWARMUGJK-HAHDFKILSA-N. The full InChI is InChI=1S/C24H28O4/c1-5-6-7-8-11-27-20-10-9-18(14-22(20)26-4)15-23-24(25)19-12-16(2)17(3)13-21(19)28-23/h9-10,12-15H,5-8,11H2,1-4H3/b23-15-.
What are the key properties of (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one?
(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one has a molecular weight of 380.48 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-5,6-dimethyl-1-benzofuran-3-one is sourced from PubChem (CID 18823848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).