(1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene

C18H16O2 — CID 5468268

IUPAC(1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene
SMILESCOc1ccc(/C=C2\C=Cc3ccccc32)cc1OC
InChIInChI=1S/C18H16O2/c1-19-17-10-7-13(12-18(17)20-2)11-15-9-8-14-5-3-4-6-16(14)15/h3-12H,1-2H3/b15-11+
InChIKeyHGNGSNBKARRPLI-RVDMUPIBSA-N
MW264.32 g/mol
LogP4.27
Rot. Bonds3

About (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene

(1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene (PubChem CID 5468268) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene.

Molecular Properties

Compound Name(1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene
PubChem CID5468268
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene
SMILESCOc1ccc(/C=C2\C=Cc3ccccc32)cc1OC
InChIInChI=1S/C18H16O2/c1-19-17-10-7-13(12-18(17)20-2)11-15-9-8-14-5-3-4-6-16(14)15/h3-12H,1-2H3/b15-11+
InChIKeyHGNGSNBKARRPLI-RVDMUPIBSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
CID 6284937
bis([4-[(E)-inden-1-ylidenemethyl]phenyl]azanide);platinum(4+);dichloride
CID 171376001
(1Z)-1-[(4-methylsulfonylphenyl)methylidene]indene
CID 54607021
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
2,6-dibromo-4-[(Z)-inden-1-ylidenemethyl]-N-methylaniline
CID 56689216
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,3-dimethylinden-1-one
CID 24890309
1,2-dimethoxy-4-(2-methylprop-1-enyl)benzene
CID 15353455
(4E)-2-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 806080
(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
CID 5408315
CID 102068140
CID 102068140
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(4-phenoxyphenyl)furan-2-one
CID 1111705

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene?
The IUPAC name of (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene (CID 5468268) is (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene.
What is the SMILES notation for (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene?
The canonical SMILES for (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene is COc1ccc(/C=C2\C=Cc3ccccc32)cc1OC.
What is the InChIKey of (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene?
The InChIKey is HGNGSNBKARRPLI-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H16O2/c1-19-17-10-7-13(12-18(17)20-2)11-15-9-8-14-5-3-4-6-16(14)15/h3-12H,1-2H3/b15-11+.
What are the key properties of (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene?
(1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene has a molecular weight of 264.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(3,4-dimethoxyphenyl)methylidene]indene is sourced from PubChem (CID 5468268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).