4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde

C10H12O3 — CID 117278276

IUPAC4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde
SMILESCC(C)(O)c1cc(O)ccc1C=O
InChIInChI=1S/C10H12O3/c1-10(2,13)9-5-8(12)4-3-7(9)6-11/h3-6,12-13H,1-2H3
InChIKeyHXMLRLYPPDOXLP-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.43
Rot. Bonds2

About 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde

4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde (PubChem CID 117278276) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde
PubChem CID117278276
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde
SMILESCC(C)(O)c1cc(O)ccc1C=O
InChIInChI=1S/C10H12O3/c1-10(2,13)9-5-8(12)4-3-7(9)6-11/h3-6,12-13H,1-2H3
InChIKeyHXMLRLYPPDOXLP-UHFFFAOYSA-N
XLogP1.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.43
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 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde?
The IUPAC name of 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde (CID 117278276) is 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde?
The canonical SMILES for 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde is CC(C)(O)c1cc(O)ccc1C=O.
What is the InChIKey of 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde?
The InChIKey is HXMLRLYPPDOXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-10(2,13)9-5-8(12)4-3-7(9)6-11/h3-6,12-13H,1-2H3.
What are the key properties of 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde?
4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-hydroxypropan-2-yl)benzaldehyde is sourced from PubChem (CID 117278276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).