4-(dimethylamino)-3-hydroxybenzaldehyde

C9H11NO2 — CID 21478067

IUPAC4-(dimethylamino)-3-hydroxybenzaldehyde
SMILESCN(C)c1ccc(C=O)cc1O
InChIInChI=1S/C9H11NO2/c1-10(2)8-4-3-7(6-11)5-9(8)12/h3-6,12H,1-2H3
InChIKeyCJFLZRFIBIUPQY-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.27
Rot. Bonds2

About 4-(dimethylamino)-3-hydroxybenzaldehyde

4-(dimethylamino)-3-hydroxybenzaldehyde (PubChem CID 21478067) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(dimethylamino)-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-3-hydroxybenzaldehyde
PubChem CID21478067
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(dimethylamino)-3-hydroxybenzaldehyde
SMILESCN(C)c1ccc(C=O)cc1O
InChIInChI=1S/C9H11NO2/c1-10(2)8-4-3-7(6-11)5-9(8)12/h3-6,12H,1-2H3
InChIKeyCJFLZRFIBIUPQY-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-5-formylbenzoic acid
CID 55255252
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
4-(dimethylamino)-3-hydroxybenzoic acid
CID 21481551
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
4-(dimethylamino)-3-methoxybenzaldehyde;4-fluoro-3-methoxybenzaldehyde
CID 161410830
N-(4-formyl-2-hydroxyphenyl)acetamide
CID 84767760
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
4-(dimethylamino)-3-[3-(dimethylamino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]benzaldehyde
CID 22041382
3,4-dideuteriooxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 158431021
3-hydroxy-4-phenylbenzaldehyde
CID 23143847
actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
CID 160848068

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-hydroxybenzaldehyde?
The IUPAC name of 4-(dimethylamino)-3-hydroxybenzaldehyde (CID 21478067) is 4-(dimethylamino)-3-hydroxybenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-3-hydroxybenzaldehyde?
The canonical SMILES for 4-(dimethylamino)-3-hydroxybenzaldehyde is CN(C)c1ccc(C=O)cc1O.
What is the InChIKey of 4-(dimethylamino)-3-hydroxybenzaldehyde?
The InChIKey is CJFLZRFIBIUPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10(2)8-4-3-7(6-11)5-9(8)12/h3-6,12H,1-2H3.
What are the key properties of 4-(dimethylamino)-3-hydroxybenzaldehyde?
4-(dimethylamino)-3-hydroxybenzaldehyde has a molecular weight of 165.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-hydroxybenzaldehyde is sourced from PubChem (CID 21478067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).