2-(3-amino-2-hydroxypropoxy)benzaldehyde

C10H13NO3 — CID 88848281

IUPAC2-(3-amino-2-hydroxypropoxy)benzaldehyde
SMILESNCC(O)COc1ccccc1C=O
InChIInChI=1S/C10H13NO3/c11-5-9(13)7-14-10-4-2-1-3-8(10)6-12/h1-4,6,9,13H,5,7,11H2
InChIKeyWLLZGNQBJLKLOZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.20
Rot. Bonds5

About 2-(3-amino-2-hydroxypropoxy)benzaldehyde

2-(3-amino-2-hydroxypropoxy)benzaldehyde (PubChem CID 88848281) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropoxy)benzaldehyde.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropoxy)benzaldehyde
PubChem CID88848281
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(3-amino-2-hydroxypropoxy)benzaldehyde
SMILESNCC(O)COc1ccccc1C=O
InChIInChI=1S/C10H13NO3/c11-5-9(13)7-14-10-4-2-1-3-8(10)6-12/h1-4,6,9,13H,5,7,11H2
InChIKeyWLLZGNQBJLKLOZ-UHFFFAOYSA-N
XLogP0.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-formylphenoxy)-2-hydroxypropyl]-triphenylphosphanium;hydrobromide
CID 126958886
2-[4-(2-formylphenoxy)butoxy]benzaldehyde
CID 3090117
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
2-(1,2-diaminoethoxy)benzaldehyde;2-hydroxybenzaldehyde
CID 87454191
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-(2-hydroxy-2-methylpropoxy)benzaldehyde
CID 60884222
3-[2-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 66896080
2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
CID 82850307
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
ethyl (2-formylphenoxy)methyl carbonate
CID 87319171

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropoxy)benzaldehyde?
The IUPAC name of 2-(3-amino-2-hydroxypropoxy)benzaldehyde (CID 88848281) is 2-(3-amino-2-hydroxypropoxy)benzaldehyde.
What is the SMILES notation for 2-(3-amino-2-hydroxypropoxy)benzaldehyde?
The canonical SMILES for 2-(3-amino-2-hydroxypropoxy)benzaldehyde is NCC(O)COc1ccccc1C=O.
What is the InChIKey of 2-(3-amino-2-hydroxypropoxy)benzaldehyde?
The InChIKey is WLLZGNQBJLKLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c11-5-9(13)7-14-10-4-2-1-3-8(10)6-12/h1-4,6,9,13H,5,7,11H2.
What are the key properties of 2-(3-amino-2-hydroxypropoxy)benzaldehyde?
2-(3-amino-2-hydroxypropoxy)benzaldehyde has a molecular weight of 195.22 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropoxy)benzaldehyde is sourced from PubChem (CID 88848281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).