2-(furan-2-yl)benzaldehyde

C11H8O2 — CID 2772294

IUPAC2-(furan-2-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccco1
InChIInChI=1S/C11H8O2/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-8H
InChIKeyBJGHSPJMFHHOCJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.76
Rot. Bonds2

About 2-(furan-2-yl)benzaldehyde

2-(furan-2-yl)benzaldehyde (PubChem CID 2772294) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(furan-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-(furan-2-yl)benzaldehyde
PubChem CID2772294
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name2-(furan-2-yl)benzaldehyde
SMILESO=Cc1ccccc1-c1ccco1
InChIInChI=1S/C11H8O2/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-8H
InChIKeyBJGHSPJMFHHOCJ-UHFFFAOYSA-N
XLogP2.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzofuran
CID 9223
3-Phenoxybenzaldehyde
CID 38284
4-(2-Furyl)-2-butanone
CID 12780
Ethyl 2-phenyl-3-furoate
CID 62007
3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
2,5-Diphenylfuran
CID 70387
Furanogermenone
CID 6439596
Acrylophenone, 3-(2-furyl)-
CID 5354164
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CID 608139
5-(4-Fluoro-phenyl)-furan-2-carbaldehyde
CID 766117

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)benzaldehyde?
The IUPAC name of 2-(furan-2-yl)benzaldehyde (CID 2772294) is 2-(furan-2-yl)benzaldehyde.
What is the SMILES notation for 2-(furan-2-yl)benzaldehyde?
The canonical SMILES for 2-(furan-2-yl)benzaldehyde is O=Cc1ccccc1-c1ccco1.
What is the InChIKey of 2-(furan-2-yl)benzaldehyde?
The InChIKey is BJGHSPJMFHHOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-8H.
What are the key properties of 2-(furan-2-yl)benzaldehyde?
2-(furan-2-yl)benzaldehyde has a molecular weight of 172.18 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)benzaldehyde is sourced from PubChem (CID 2772294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).