8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde

C20H17F3O3 — CID 58438838

IUPAC8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
SMILESCc1ccc(COc2ccc3c(c2C)OCC(C=O)=C3)c(C(F)(F)F)c1
InChIInChI=1S/C20H17F3O3/c1-12-3-4-16(17(7-12)20(21,22)23)11-25-18-6-5-15-8-14(9-24)10-26-19(15)13(18)2/h3-9H,10-11H2,1-2H3
InChIKeyFXQLPCSZMSSDEG-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.88
Rot. Bonds4

About 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde

8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde (PubChem CID 58438838) has the molecular formula C20H17F3O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
PubChem CID58438838
Molecular FormulaC20H17F3O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde
SMILESCc1ccc(COc2ccc3c(c2C)OCC(C=O)=C3)c(C(F)(F)F)c1
InChIInChI=1S/C20H17F3O3/c1-12-3-4-16(17(7-12)20(21,22)23)11-25-18-6-5-15-8-14(9-24)10-26-19(15)13(18)2/h3-9H,10-11H2,1-2H3
InChIKeyFXQLPCSZMSSDEG-UHFFFAOYSA-N
XLogP4.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-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 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
The IUPAC name of 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde (CID 58438838) is 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
The canonical SMILES for 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde is Cc1ccc(COc2ccc3c(c2C)OCC(C=O)=C3)c(C(F)(F)F)c1.
What is the InChIKey of 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
The InChIKey is FXQLPCSZMSSDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O3/c1-12-3-4-16(17(7-12)20(21,22)23)11-25-18-6-5-15-8-14(9-24)10-26-19(15)13(18)2/h3-9H,10-11H2,1-2H3.
What are the key properties of 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde?
8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde has a molecular weight of 362.35 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[[4-methyl-2-(trifluoromethyl)phenyl]methoxy]-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 58438838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).