3-(phenoxymethyl)furan-2-carbaldehyde

C12H10O3 — CID 175986612

IUPAC3-(phenoxymethyl)furan-2-carbaldehyde
SMILESO=Cc1occc1COc1ccccc1
InChIInChI=1S/C12H10O3/c13-8-12-10(6-7-14-12)9-15-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyBWAPFBKJUFHTOD-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.67
Rot. Bonds4

About 3-(phenoxymethyl)furan-2-carbaldehyde

3-(phenoxymethyl)furan-2-carbaldehyde (PubChem CID 175986612) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(phenoxymethyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name3-(phenoxymethyl)furan-2-carbaldehyde
PubChem CID175986612
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name3-(phenoxymethyl)furan-2-carbaldehyde
SMILESO=Cc1occc1COc1ccccc1
InChIInChI=1S/C12H10O3/c13-8-12-10(6-7-14-12)9-15-11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyBWAPFBKJUFHTOD-UHFFFAOYSA-N
XLogP2.67
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.67
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

N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
acetic acid;3-(hydroxymethyl)furan-2-carbaldehyde
CID 126623280
3-ethyl-5-(10-phenoxydecoxy)furan-2-carbaldehyde
CID 88613330
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
N-(cyanomethyl)-N-ethyl-3-(phenoxymethyl)furan-2-carboxamide
CID 86864591
4-[3-(phenoxymethyl)furan-2-yl]piperidine
CID 53390871
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
(4-hydroxypiperidin-1-yl)-[3-(phenoxymethyl)furan-2-yl]methanone
CID 110883944
2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 119359087

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)furan-2-carbaldehyde?
The IUPAC name of 3-(phenoxymethyl)furan-2-carbaldehyde (CID 175986612) is 3-(phenoxymethyl)furan-2-carbaldehyde.
What is the SMILES notation for 3-(phenoxymethyl)furan-2-carbaldehyde?
The canonical SMILES for 3-(phenoxymethyl)furan-2-carbaldehyde is O=Cc1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)furan-2-carbaldehyde?
The InChIKey is BWAPFBKJUFHTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-8-12-10(6-7-14-12)9-15-11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 3-(phenoxymethyl)furan-2-carbaldehyde?
3-(phenoxymethyl)furan-2-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)furan-2-carbaldehyde is sourced from PubChem (CID 175986612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).