2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde

C19H16O3 — CID 53341635

IUPAC2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde
SMILESO=Cc1cc(COCc2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C19H16O3/c20-12-17-11-18(14-21-13-15-7-3-1-4-8-15)22-19(17)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyGVXNDHNDZBATOY-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.48
Rot. Bonds6

About 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde

2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde (PubChem CID 53341635) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde
PubChem CID53341635
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde
SMILESO=Cc1cc(COCc2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C19H16O3/c20-12-17-11-18(14-21-13-15-7-3-1-4-8-15)22-19(17)16-9-5-2-6-10-16/h1-12H,13-14H2
InChIKeyGVXNDHNDZBATOY-UHFFFAOYSA-N
XLogP4.48
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.48
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 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde?
The IUPAC name of 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde (CID 53341635) is 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde?
The canonical SMILES for 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde is O=Cc1cc(COCc2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde?
The InChIKey is GVXNDHNDZBATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-12-17-11-18(14-21-13-15-7-3-1-4-8-15)22-19(17)16-9-5-2-6-10-16/h1-12H,13-14H2.
What are the key properties of 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde?
2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde has a molecular weight of 292.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(phenylmethoxymethyl)furan-3-carbaldehyde is sourced from PubChem (CID 53341635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).