2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde

C17H12O3 — CID 57326285

IUPAC2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
SMILESCOc1ccc(C2=C(C=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H12O3/c1-20-12-8-6-11(7-9-12)16-15(10-18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3
InChIKeyMVLPRHMADCGITC-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde

2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde (PubChem CID 57326285) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
PubChem CID57326285
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde
SMILESCOc1ccc(C2=C(C=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H12O3/c1-20-12-8-6-11(7-9-12)16-15(10-18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3
InChIKeyMVLPRHMADCGITC-UHFFFAOYSA-N
XLogP3.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde (CID 57326285) is 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde is COc1ccc(C2=C(C=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde?
The InChIKey is MVLPRHMADCGITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c1-20-12-8-6-11(7-9-12)16-15(10-18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde?
2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde has a molecular weight of 264.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-oxoindene-1-carbaldehyde is sourced from PubChem (CID 57326285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).