5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde

C11H14O4 — CID 117300229

IUPAC5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
SMILESCOc1cc(C(C)CO)c(C=O)cc1O
InChIInChI=1S/C11H14O4/c1-7(5-12)9-4-11(15-2)10(14)3-8(9)6-13/h3-4,6-7,12,14H,5H2,1-2H3
InChIKeyVXEZEIITJZLIJL-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.31
Rot. Bonds4

About 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde

5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde (PubChem CID 117300229) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
PubChem CID117300229
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde
SMILESCOc1cc(C(C)CO)c(C=O)cc1O
InChIInChI=1S/C11H14O4/c1-7(5-12)9-4-11(15-2)10(14)3-8(9)6-13/h3-4,6-7,12,14H,5H2,1-2H3
InChIKeyVXEZEIITJZLIJL-UHFFFAOYSA-N
XLogP1.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-4-methoxy-2-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818437
3-(2-formyl-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropanenitrile
CID 171870828
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
5-hydroxy-4-methoxy-2-sulfanylbenzaldehyde
CID 90730057
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
methyl 2-(2-formyl-5-hydroxy-4-methoxyphenyl)-2-hydroxyacetate
CID 117352583
3-(2-fluoro-5-hydroxy-4-methoxyphenyl)butanal
CID 117302867
2-(5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117322308
4,5-dimethoxy-2-[(2R)-1-phenylpropan-2-yl]benzaldehyde
CID 124564377
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
2-(3-aminoprop-1-enyl)-4-hydroxy-5-methoxybenzaldehyde
CID 169464063
4-hydroxy-5-methoxy-2-(4-sulfanylbut-1-enyl)benzaldehyde
CID 170478897

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde?
The IUPAC name of 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde (CID 117300229) is 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde.
What is the SMILES notation for 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde?
The canonical SMILES for 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde is COc1cc(C(C)CO)c(C=O)cc1O.
What is the InChIKey of 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde?
The InChIKey is VXEZEIITJZLIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7(5-12)9-4-11(15-2)10(14)3-8(9)6-13/h3-4,6-7,12,14H,5H2,1-2H3.
What are the key properties of 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde?
5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methoxybenzaldehyde is sourced from PubChem (CID 117300229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).