7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde

C20H20O3 — CID 58439114

IUPAC7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde
SMILESCCCc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)cc1
InChIInChI=1S/C20H20O3/c1-2-3-15-4-6-16(7-5-15)13-22-19-9-8-18-10-17(12-21)14-23-20(18)11-19/h4-12H,2-3,13-14H2,1H3
InChIKeyFVNLYIRIJIOISK-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.19
Rot. Bonds6

About 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde

7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde (PubChem CID 58439114) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde
PubChem CID58439114
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde
SMILESCCCc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)cc1
InChIInChI=1S/C20H20O3/c1-2-3-15-4-6-16(7-5-15)13-22-19-9-8-18-10-17(12-21)14-23-20(18)11-19/h4-12H,2-3,13-14H2,1H3
InChIKeyFVNLYIRIJIOISK-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde?
The IUPAC name of 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde (CID 58439114) is 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde?
The canonical SMILES for 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde is CCCc1ccc(COc2ccc3c(c2)OCC(C=O)=C3)cc1.
What is the InChIKey of 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde?
The InChIKey is FVNLYIRIJIOISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-3-15-4-6-16(7-5-15)13-22-19-9-8-18-10-17(12-21)14-23-20(18)11-19/h4-12H,2-3,13-14H2,1H3.
What are the key properties of 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde?
7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde has a molecular weight of 308.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-propylphenyl)methoxy]-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 58439114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).