4-hydroxy-3-(oxolan-2-yl)benzaldehyde

C11H12O3 — CID 91664714

IUPAC4-hydroxy-3-(oxolan-2-yl)benzaldehyde
SMILESO=Cc1ccc(O)c(C2CCCO2)c1
InChIInChI=1S/C11H12O3/c12-7-8-3-4-10(13)9(6-8)11-2-1-5-14-11/h3-4,6-7,11,13H,1-2,5H2
InChIKeyBPLYJLPGGPMNQQ-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.06
Rot. Bonds2

About 4-hydroxy-3-(oxolan-2-yl)benzaldehyde

4-hydroxy-3-(oxolan-2-yl)benzaldehyde (PubChem CID 91664714) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-hydroxy-3-(oxolan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(oxolan-2-yl)benzaldehyde
PubChem CID91664714
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-hydroxy-3-(oxolan-2-yl)benzaldehyde
SMILESO=Cc1ccc(O)c(C2CCCO2)c1
InChIInChI=1S/C11H12O3/c12-7-8-3-4-10(13)9(6-8)11-2-1-5-14-11/h3-4,6-7,11,13H,1-2,5H2
InChIKeyBPLYJLPGGPMNQQ-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.06
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

3-cyclopentyl-4-hydroxybenzaldehyde
CID 23439068
3-cycloheptyl-4-hydroxybenzaldehyde
CID 155670668
2-[(2R)-oxan-2-yl]phenol
CID 92978074
2-(1,4-dioxan-2-yl)terephthalaldehyde
CID 139816650
3-(oxolan-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143539
methyl 3-hydroxy-4-(oxan-2-yl)benzoate
CID 14046868
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
2-fluoro-3-(oxolan-2-yl)pyridine
CID 67168066
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
3-chloro-4-(oxan-4-yl)benzaldehyde
CID 83839551
6-methyl-2-(oxolan-2-yl)pyridin-3-ol
CID 68852704
[3-ethyl-4-(oxolan-2-yl)phenyl]methanol
CID 123620746

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(oxolan-2-yl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(oxolan-2-yl)benzaldehyde (CID 91664714) is 4-hydroxy-3-(oxolan-2-yl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(oxolan-2-yl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(oxolan-2-yl)benzaldehyde is O=Cc1ccc(O)c(C2CCCO2)c1.
What is the InChIKey of 4-hydroxy-3-(oxolan-2-yl)benzaldehyde?
The InChIKey is BPLYJLPGGPMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-8-3-4-10(13)9(6-8)11-2-1-5-14-11/h3-4,6-7,11,13H,1-2,5H2.
What are the key properties of 4-hydroxy-3-(oxolan-2-yl)benzaldehyde?
4-hydroxy-3-(oxolan-2-yl)benzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(oxolan-2-yl)benzaldehyde is sourced from PubChem (CID 91664714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).