4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde

C14H12O4 — CID 144750000

IUPAC4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde
SMILESCc1ccc(C(=O)COc2ccc(C=O)cc2)o1
InChIInChI=1S/C14H12O4/c1-10-2-7-14(18-10)13(16)9-17-12-5-3-11(8-15)4-6-12/h2-8H,9H2,1H3
InChIKeyYSQNWPOEXFSGGK-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.66
Rot. Bonds5

About 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde

4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde (PubChem CID 144750000) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde
PubChem CID144750000
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde
SMILESCc1ccc(C(=O)COc2ccc(C=O)cc2)o1
InChIInChI=1S/C14H12O4/c1-10-2-7-14(18-10)13(16)9-17-12-5-3-11(8-15)4-6-12/h2-8H,9H2,1H3
InChIKeyYSQNWPOEXFSGGK-UHFFFAOYSA-N
XLogP2.66
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.66
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

4-[2-(4-methylphenyl)-2-oxoethoxy]benzaldehyde
CID 23408905
2-[4-[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 24561750
4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzaldehyde
CID 60625346
ethyl 4-(4-formylphenoxy)-3-oxobutanoate
CID 60643731
propan-2-yl 2-(4-formylphenoxy)acetate
CID 23274286
tert-butyl 2-(4-formylphenoxy)acetate
CID 639902
4-[(Z)-3-chloro-2-methylprop-2-enoxy]benzaldehyde
CID 106438554
propyl 2-(4-formylphenoxy)acetate
CID 17245126
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620851
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
3-[[2-(4-formylphenoxy)acetyl]-methylamino]propanoic acid
CID 82033015

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde?
The IUPAC name of 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde (CID 144750000) is 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde?
The canonical SMILES for 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde is Cc1ccc(C(=O)COc2ccc(C=O)cc2)o1.
What is the InChIKey of 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde?
The InChIKey is YSQNWPOEXFSGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-10-2-7-14(18-10)13(16)9-17-12-5-3-11(8-15)4-6-12/h2-8H,9H2,1H3.
What are the key properties of 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde?
4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde has a molecular weight of 244.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methylfuran-2-yl)-2-oxoethoxy]benzaldehyde is sourced from PubChem (CID 144750000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).