(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran

C30H26O4 — CID 102593165

IUPAC(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran
SMILESCOc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)O/C2=C\c1ccc(OC)c(OC)c1
InChIInChI=1S/C30H26O4/c1-31-24-15-16-25-26(20-24)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-28(25)18-21-14-17-27(32-2)29(19-21)33-3/h4-20H,1-3H3/b28-18-
InChIKeyYRVHGZDNDQIJGZ-VEILYXNESA-N
MW450.53 g/mol
LogP6.53
Rot. Bonds6

About (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran (PubChem CID 102593165) has the molecular formula C30H26O4 and a molecular weight of 450.53 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran
PubChem CID102593165
Molecular FormulaC30H26O4
Molecular Weight450.53 g/mol
Exact Mass450.18
IUPAC Name(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran
SMILESCOc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)O/C2=C\c1ccc(OC)c(OC)c1
InChIInChI=1S/C30H26O4/c1-31-24-15-16-25-26(20-24)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-28(25)18-21-14-17-27(32-2)29(19-21)33-3/h4-20H,1-3H3/b28-18-
InChIKeyYRVHGZDNDQIJGZ-VEILYXNESA-N
XLogP6.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1-methyl-1-thiophen-2-yl-2-benzofuran
CID 102593163
(9E)-9-[(3,4-dimethoxyphenyl)methylidene]-2,3,6-trimethoxyfluorene
CID 11315671
[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] benzenesulfonate
CID 2027424
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5,7-dimethoxy-2-benzofuran-1-one
CID 10860799
[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate
CID 18836015
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,3-dimethylinden-1-one
CID 24890309
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-7-methoxychromen-4-one
CID 6857791
(1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene
CID 5468268
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380
3-[(3,4-dimethoxyphenyl)methylidene]-5,5-dimethyloxolan-2-one
CID 54094400
2-[(3,4-dimethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5096301

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran?
The IUPAC name of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran (CID 102593165) is (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran.
What is the SMILES notation for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran?
The canonical SMILES for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran is COc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)O/C2=C\c1ccc(OC)c(OC)c1.
What is the InChIKey of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran?
The InChIKey is YRVHGZDNDQIJGZ-VEILYXNESA-N. The full InChI is InChI=1S/C30H26O4/c1-31-24-15-16-25-26(20-24)30(22-10-6-4-7-11-22,23-12-8-5-9-13-23)34-28(25)18-21-14-17-27(32-2)29(19-21)33-3/h4-20H,1-3H3/b28-18-.
What are the key properties of (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran?
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran has a molecular weight of 450.53 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-6-methoxy-1,1-diphenyl-2-benzofuran is sourced from PubChem (CID 102593165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).