5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde

C11H12O3 — CID 117282871

IUPAC5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde
SMILESO=Cc1cc(O)ccc1CC1(O)CC1
InChIInChI=1S/C11H12O3/c12-7-9-5-10(13)2-1-8(9)6-11(14)3-4-11/h1-2,5,7,13-14H,3-4,6H2
InChIKeyHRTHEHLNYBNWMI-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.27
Rot. Bonds3

About 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde

5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde (PubChem CID 117282871) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde
PubChem CID117282871
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde
SMILESO=Cc1cc(O)ccc1CC1(O)CC1
InChIInChI=1S/C11H12O3/c12-7-9-5-10(13)2-1-8(9)6-11(14)3-4-11/h1-2,5,7,13-14H,3-4,6H2
InChIKeyHRTHEHLNYBNWMI-UHFFFAOYSA-N
XLogP1.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde?
The IUPAC name of 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde (CID 117282871) is 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde.
What is the SMILES notation for 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde?
The canonical SMILES for 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde is O=Cc1cc(O)ccc1CC1(O)CC1.
What is the InChIKey of 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde?
The InChIKey is HRTHEHLNYBNWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-7-9-5-10(13)2-1-8(9)6-11(14)3-4-11/h1-2,5,7,13-14H,3-4,6H2.
What are the key properties of 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde?
5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(1-hydroxycyclopropyl)methyl]benzaldehyde is sourced from PubChem (CID 117282871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).