7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde

C13H14O4 — CID 58439013

IUPAC7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde
SMILESCOCOc1ccc2c(c1C)OCC(C=O)=C2
InChIInChI=1S/C13H14O4/c1-9-12(17-8-15-2)4-3-11-5-10(6-14)7-16-13(9)11/h3-6H,7-8H2,1-2H3
InChIKeyQCQZTXFWXDIAME-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.95
Rot. Bonds4

About 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde

7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde (PubChem CID 58439013) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde
PubChem CID58439013
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde
SMILESCOCOc1ccc2c(c1C)OCC(C=O)=C2
InChIInChI=1S/C13H14O4/c1-9-12(17-8-15-2)4-3-11-5-10(6-14)7-16-13(9)11/h3-6H,7-8H2,1-2H3
InChIKeyQCQZTXFWXDIAME-UHFFFAOYSA-N
XLogP1.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde?
The IUPAC name of 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde (CID 58439013) is 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde.
What is the SMILES notation for 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde?
The canonical SMILES for 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde is COCOc1ccc2c(c1C)OCC(C=O)=C2.
What is the InChIKey of 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde?
The InChIKey is QCQZTXFWXDIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-9-12(17-8-15-2)4-3-11-5-10(6-14)7-16-13(9)11/h3-6H,7-8H2,1-2H3.
What are the key properties of 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde?
7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde has a molecular weight of 234.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-8-methyl-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 58439013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).