2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde

C13H17NO3 — CID 15910242

IUPAC2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde
SMILESCc1cc(C=O)c(O)c(CN2CCOCC2)c1
InChIInChI=1S/C13H17NO3/c1-10-6-11(13(16)12(7-10)9-15)8-14-2-4-17-5-3-14/h6-7,9,16H,2-5,8H2,1H3
InChIKeyWKIIOSJTGLRQBE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.35
Rot. Bonds3

About 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde

2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde (PubChem CID 15910242) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde
PubChem CID15910242
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde
SMILESCc1cc(C=O)c(O)c(CN2CCOCC2)c1
InChIInChI=1S/C13H17NO3/c1-10-6-11(13(16)12(7-10)9-15)8-14-2-4-17-5-3-14/h6-7,9,16H,2-5,8H2,1H3
InChIKeyWKIIOSJTGLRQBE-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde (CID 15910242) is 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde is Cc1cc(C=O)c(O)c(CN2CCOCC2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde?
The InChIKey is WKIIOSJTGLRQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-6-11(13(16)12(7-10)9-15)8-14-2-4-17-5-3-14/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde?
2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde has a molecular weight of 235.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-(morpholin-4-ylmethyl)benzaldehyde is sourced from PubChem (CID 15910242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).