(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one

C19H18O4 — CID 24761205

IUPAC(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1/Cc2ccccc2C1=O
InChIInChI=1S/C19H18O4/c1-21-16-11-18(23-3)17(22-2)10-13(16)9-14-8-12-6-4-5-7-15(12)19(14)20/h4-7,9-11H,8H2,1-3H3/b14-9-
InChIKeyAEWOZAZHYFCYAY-ZROIWOOFSA-N
MW310.35 g/mol
LogP3.53
Rot. Bonds4

About (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one

(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one (PubChem CID 24761205) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one
PubChem CID24761205
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one
SMILESCOc1cc(OC)c(OC)cc1/C=C1/Cc2ccccc2C1=O
InChIInChI=1S/C19H18O4/c1-21-16-11-18(23-3)17(22-2)10-13(16)9-14-8-12-6-4-5-7-15(12)19(14)20/h4-7,9-11H,8H2,1-3H3/b14-9-
InChIKeyAEWOZAZHYFCYAY-ZROIWOOFSA-N
XLogP3.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one?
The IUPAC name of (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one (CID 24761205) is (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one?
The canonical SMILES for (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one is COc1cc(OC)c(OC)cc1/C=C1/Cc2ccccc2C1=O.
What is the InChIKey of (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one?
The InChIKey is AEWOZAZHYFCYAY-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-16-11-18(23-3)17(22-2)10-13(16)9-14-8-12-6-4-5-7-15(12)19(14)20/h4-7,9-11H,8H2,1-3H3/b14-9-.
What are the key properties of (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one?
(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one has a molecular weight of 310.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one is sourced from PubChem (CID 24761205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).