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

C13H17NO3 — CID 122631498

IUPAC2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde
SMILESCc1cc(CN2CCOCC2)cc(C=O)c1O
InChIInChI=1S/C13H17NO3/c1-10-6-11(7-12(9-15)13(10)16)8-14-2-4-17-5-3-14/h6-7,9,16H,2-5,8H2,1H3
InChIKeyDBTFPKIMHYWZEN-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.35
Rot. Bonds3

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

2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde (PubChem CID 122631498) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde
PubChem CID122631498
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde
SMILESCc1cc(CN2CCOCC2)cc(C=O)c1O
InChIInChI=1S/C13H17NO3/c1-10-6-11(7-12(9-15)13(10)16)8-14-2-4-17-5-3-14/h6-7,9,16H,2-5,8H2,1H3
InChIKeyDBTFPKIMHYWZEN-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-[[13-[(3-tert-butyl-4-hydroxy-5-methylphenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-6-methylphenol
CID 11028199
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244
5-bromo-2-hydroxy-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)benzaldehyde
CID 100998969
2-methyl-5-(2-morpholin-4-ylethyl)benzaldehyde
CID 143796960
4-[(4-fluorosulfonyloxy-3,5-dimethylphenyl)methyl]morpholine
CID 154879948
3-[[4,7-bis[(3-formyl-2-hydroxy-5-methylphenyl)methyl]-1,4,7-triazonan-1-yl]methyl]-2-hydroxy-5-methylbenzaldehyde
CID 170744084
triethyl-[(3-formyl-4-hydroxy-5-methylphenyl)methyl]azanium
CID 122631501
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
1-methyl-4-(morpholin-4-ylmethyl)pyrrole-2-carbaldehyde
CID 86650822
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
3-methyl-5-(pyrrolidin-1-ylmethyl)benzene-1,2-diol
CID 91439677
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde (CID 122631498) is 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde is Cc1cc(CN2CCOCC2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde?
The InChIKey is DBTFPKIMHYWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-6-11(7-12(9-15)13(10)16)8-14-2-4-17-5-3-14/h6-7,9,16H,2-5,8H2,1H3.
What are the key properties of 2-hydroxy-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde?
2-hydroxy-3-methyl-5-(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-3-methyl-5-(morpholin-4-ylmethyl)benzaldehyde is sourced from PubChem (CID 122631498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).