7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde

C18H18O3S — CID 58439099

IUPAC7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde
SMILESCCc1sc(COc2ccc3c(c2)OCC(C=O)=C3)cc1C
InChIInChI=1S/C18H18O3S/c1-3-18-12(2)6-16(22-18)11-20-15-5-4-14-7-13(9-19)10-21-17(14)8-15/h4-9H,3,10-11H2,1-2H3
InChIKeyLIOBRYPEMCAIMM-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.17
Rot. Bonds5

About 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde

7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde (PubChem CID 58439099) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde
PubChem CID58439099
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde
SMILESCCc1sc(COc2ccc3c(c2)OCC(C=O)=C3)cc1C
InChIInChI=1S/C18H18O3S/c1-3-18-12(2)6-16(22-18)11-20-15-5-4-14-7-13(9-19)10-21-17(14)8-15/h4-9H,3,10-11H2,1-2H3
InChIKeyLIOBRYPEMCAIMM-UHFFFAOYSA-N
XLogP4.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(5-ethyl-4-methylthiophen-2-yl)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 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde?
The IUPAC name of 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde (CID 58439099) is 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde?
The canonical SMILES for 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde is CCc1sc(COc2ccc3c(c2)OCC(C=O)=C3)cc1C.
What is the InChIKey of 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde?
The InChIKey is LIOBRYPEMCAIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3S/c1-3-18-12(2)6-16(22-18)11-20-15-5-4-14-7-13(9-19)10-21-17(14)8-15/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde?
7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde has a molecular weight of 314.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethyl-4-methylthiophen-2-yl)methoxy]-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 58439099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).