5-(1-hydroxyethyl)furan-3-carbaldehyde

C7H8O3 — CID 45083384

IUPAC5-(1-hydroxyethyl)furan-3-carbaldehyde
SMILESCC(O)c1cc(C=O)co1
InChIInChI=1S/C7H8O3/c1-5(9)7-2-6(3-8)4-10-7/h2-5,9H,1H3
InChIKeyMXVKJKUDJQNRRX-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.15
Rot. Bonds2

About 5-(1-hydroxyethyl)furan-3-carbaldehyde

5-(1-hydroxyethyl)furan-3-carbaldehyde (PubChem CID 45083384) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name5-(1-hydroxyethyl)furan-3-carbaldehyde
PubChem CID45083384
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name5-(1-hydroxyethyl)furan-3-carbaldehyde
SMILESCC(O)c1cc(C=O)co1
InChIInChI=1S/C7H8O3/c1-5(9)7-2-6(3-8)4-10-7/h2-5,9H,1H3
InChIKeyMXVKJKUDJQNRRX-UHFFFAOYSA-N
XLogP1.15
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.15
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

5-methylfuran-3-carbaldehyde
CID 3796816
4-formyl-N-methylfuran-2-carboxamide
CID 57114481
trifluoro-(4-formylfuran-2-yl)boranuide
CID 46902167
ethane;5-phenylfuran-3-carbaldehyde
CID 143257952
4-hydroxybenzaldehyde;propan-2-ol
CID 18939132
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
5-tributylstannylfuran-3-carbaldehyde
CID 10959991
1-(5-methylfuran-3-yl)ethanol
CID 112692743
3,4,5-trihydroxybenzaldehyde
CID 157253405
5-hydroxy-6-methylpyridine-3-carbaldehyde
CID 15619958
4-[3-[4-(1-hydroxyethyl)phenyl]-1,2-oxazol-5-yl]benzaldehyde
CID 163982177

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)furan-3-carbaldehyde?
The IUPAC name of 5-(1-hydroxyethyl)furan-3-carbaldehyde (CID 45083384) is 5-(1-hydroxyethyl)furan-3-carbaldehyde.
What is the SMILES notation for 5-(1-hydroxyethyl)furan-3-carbaldehyde?
The canonical SMILES for 5-(1-hydroxyethyl)furan-3-carbaldehyde is CC(O)c1cc(C=O)co1.
What is the InChIKey of 5-(1-hydroxyethyl)furan-3-carbaldehyde?
The InChIKey is MXVKJKUDJQNRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(9)7-2-6(3-8)4-10-7/h2-5,9H,1H3.
What are the key properties of 5-(1-hydroxyethyl)furan-3-carbaldehyde?
5-(1-hydroxyethyl)furan-3-carbaldehyde has a molecular weight of 140.14 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)furan-3-carbaldehyde is sourced from PubChem (CID 45083384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).