5-(phenylmethoxymethyl)furan-2-carbaldehyde

C13H12O3 — CID 4739192

IUPAC5-(phenylmethoxymethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(COCc2ccccc2)o1
InChIInChI=1S/C13H12O3/c14-8-12-6-7-13(16-12)10-15-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyKZMJMZDYZULJRU-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.81
Rot. Bonds5

About 5-(phenylmethoxymethyl)furan-2-carbaldehyde

5-(phenylmethoxymethyl)furan-2-carbaldehyde (PubChem CID 4739192) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)furan-2-carbaldehyde
PubChem CID4739192
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name5-(phenylmethoxymethyl)furan-2-carbaldehyde
SMILESO=Cc1ccc(COCc2ccccc2)o1
InChIInChI=1S/C13H12O3/c14-8-12-6-7-13(16-12)10-15-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyKZMJMZDYZULJRU-UHFFFAOYSA-N
XLogP2.81
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(phenylmethoxymethyl)-5-[5-(phenylmethoxymethyl)furan-2-yl]furan
CID 102127806
2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde
CID 53341635
CID 66734377
CID 66734377
5-benzylsulfanylfuran-2-carbaldehyde
CID 63803359
1-[5-(phenylmethoxymethyl)furan-2-yl]propan-1-amine
CID 132524431
sodium [5-(oxo(113C)methyl)(2,3,4,5-13C4)furan-2-yl](113C)methyl sulfate
CID 71752262
5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbaldehyde
CID 3252961
ethane;phenylmethoxymethylbenzene
CID 90943549
5-[(3-methoxyphenoxy)methyl]furan-2-carbaldehyde
CID 97035067
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
acetic acid;phenylmethoxymethylbenzene
CID 175214238

Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)furan-2-carbaldehyde?
The IUPAC name of 5-(phenylmethoxymethyl)furan-2-carbaldehyde (CID 4739192) is 5-(phenylmethoxymethyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(phenylmethoxymethyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(phenylmethoxymethyl)furan-2-carbaldehyde is O=Cc1ccc(COCc2ccccc2)o1.
What is the InChIKey of 5-(phenylmethoxymethyl)furan-2-carbaldehyde?
The InChIKey is KZMJMZDYZULJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-8-12-6-7-13(16-12)10-15-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 5-(phenylmethoxymethyl)furan-2-carbaldehyde?
5-(phenylmethoxymethyl)furan-2-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)furan-2-carbaldehyde is sourced from PubChem (CID 4739192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).