2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde

C11H12O5 — CID 87503606

IUPAC2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde
SMILESCOc1c(C(=O)C(C)O)ccc(C=O)c1O
InChIInChI=1S/C11H12O5/c1-6(13)9(14)8-4-3-7(5-12)10(15)11(8)16-2/h3-6,13,15H,1-2H3
InChIKeyRZKWDNKIWSOPHB-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.78
Rot. Bonds4

About 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde

2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde (PubChem CID 87503606) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde
PubChem CID87503606
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde
SMILESCOc1c(C(=O)C(C)O)ccc(C=O)c1O
InChIInChI=1S/C11H12O5/c1-6(13)9(14)8-4-3-7(5-12)10(15)11(8)16-2/h3-6,13,15H,1-2H3
InChIKeyRZKWDNKIWSOPHB-UHFFFAOYSA-N
XLogP0.78
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
CID 84685306
3-acetyl-2-methoxybenzaldehyde
CID 148697874
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
1-aminopropan-2-ol;2-hydroxy-3-methoxybenzaldehyde
CID 19867153
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
4-formyl-3-hydroxy-2-methylbenzoic acid
CID 118952920
N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
2-acetyl-4-chloro-3-methoxybenzaldehyde
CID 171002186

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde?
The IUPAC name of 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde (CID 87503606) is 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde?
The canonical SMILES for 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde is COc1c(C(=O)C(C)O)ccc(C=O)c1O.
What is the InChIKey of 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde?
The InChIKey is RZKWDNKIWSOPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-6(13)9(14)8-4-3-7(5-12)10(15)11(8)16-2/h3-6,13,15H,1-2H3.
What are the key properties of 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde?
2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde has a molecular weight of 224.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde is sourced from PubChem (CID 87503606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).