3-(furan-2-yl)-4-hydroxybutanal

C8H10O3 — CID 135002248

IUPAC3-(furan-2-yl)-4-hydroxybutanal
SMILESO=CCC(CO)c1ccco1
InChIInChI=1S/C8H10O3/c9-4-3-7(6-10)8-2-1-5-11-8/h1-2,4-5,7,10H,3,6H2
InChIKeyUDYOYOXDKWNQSU-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.94
Rot. Bonds4

About 3-(furan-2-yl)-4-hydroxybutanal

3-(furan-2-yl)-4-hydroxybutanal (PubChem CID 135002248) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(furan-2-yl)-4-hydroxybutanal.

Molecular Properties

Compound Name3-(furan-2-yl)-4-hydroxybutanal
PubChem CID135002248
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name3-(furan-2-yl)-4-hydroxybutanal
SMILESO=CCC(CO)c1ccco1
InChIInChI=1S/C8H10O3/c9-4-3-7(6-10)8-2-1-5-11-8/h1-2,4-5,7,10H,3,6H2
InChIKeyUDYOYOXDKWNQSU-UHFFFAOYSA-N
XLogP0.94
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(furan-2-yl)ethanol
CID 54048773
2-(furan-2-yl)pent-4-enal
CID 10558783
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
(1S)-1-(furan-2-yl)prop-2-en-1-amine;hydrochloride
CID 171231702
1-[1-(furan-2-yl)-2-hydroxyethyl]-1-hydroxyurea
CID 57198611
1-(furan-2-yl)-4-methylpent-3-en-1-ol
CID 15350980
2-(furan-2-yl)-3-methylbutanal
CID 579273
2-(furan-2-yl)propanedioic acid
CID 19790856
benzyl 3-(furan-2-yl)hex-5-enoate
CID 134916819
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
1-(furan-2-yl)propane-1-thiol
CID 62631809

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-4-hydroxybutanal?
The IUPAC name of 3-(furan-2-yl)-4-hydroxybutanal (CID 135002248) is 3-(furan-2-yl)-4-hydroxybutanal.
What is the SMILES notation for 3-(furan-2-yl)-4-hydroxybutanal?
The canonical SMILES for 3-(furan-2-yl)-4-hydroxybutanal is O=CCC(CO)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-4-hydroxybutanal?
The InChIKey is UDYOYOXDKWNQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-4-3-7(6-10)8-2-1-5-11-8/h1-2,4-5,7,10H,3,6H2.
What are the key properties of 3-(furan-2-yl)-4-hydroxybutanal?
3-(furan-2-yl)-4-hydroxybutanal has a molecular weight of 154.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-4-hydroxybutanal is sourced from PubChem (CID 135002248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).