5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde

C13H12O4 — CID 97035067

IUPAC5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
SMILESCOc1cccc(OCc2ccc(C=O)o2)c1
InChIInChI=1S/C13H12O4/c1-15-10-3-2-4-11(7-10)16-9-13-6-5-12(8-14)17-13/h2-8H,9H2,1H3
InChIKeyMNQLFBSVNLATRZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.68
Rot. Bonds5

About 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde

5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde (PubChem CID 97035067) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
PubChem CID97035067
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
SMILESCOc1cccc(OCc2ccc(C=O)o2)c1
InChIInChI=1S/C13H12O4/c1-15-10-3-2-4-11(7-10)16-9-13-6-5-12(8-14)17-13/h2-8H,9H2,1H3
InChIKeyMNQLFBSVNLATRZ-UHFFFAOYSA-N
XLogP2.68
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
N-[[5-[(3-methoxyphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62454887
5-[(4-methoxy-3-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 103201880
5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbaldehyde
CID 843215
2-(3-methoxyphenoxy)acetaldehyde
CID 15692237
5-[(5-bromo-2-methylphenoxy)methyl]furan-2-carbaldehyde
CID 107285070
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbaldehyde
CID 3252961
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
N-(2,3-dihydro-1H-inden-5-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35524166
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
(E)-1-(3-methoxyphenyl)-3-[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-yl]prop-2-en-1-one
CID 19560604

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde (CID 97035067) is 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde is COc1cccc(OCc2ccc(C=O)o2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde?
The InChIKey is MNQLFBSVNLATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c1-15-10-3-2-4-11(7-10)16-9-13-6-5-12(8-14)17-13/h2-8H,9H2,1H3.
What are the key properties of 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde?
5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde has a molecular weight of 232.24 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde is sourced from PubChem (CID 97035067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).