4-(dimethylamino)-2,6-dihydroxybenzaldehyde

C9H11NO3 — CID 90461716

IUPAC4-(dimethylamino)-2,6-dihydroxybenzaldehyde
SMILESCN(C)c1cc(O)c(C=O)c(O)c1
InChIInChI=1S/C9H11NO3/c1-10(2)6-3-8(12)7(5-11)9(13)4-6/h3-5,12-13H,1-2H3
InChIKeyPXXRPKVZTOPQKF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.98
Rot. Bonds2

About 4-(dimethylamino)-2,6-dihydroxybenzaldehyde

4-(dimethylamino)-2,6-dihydroxybenzaldehyde (PubChem CID 90461716) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(dimethylamino)-2,6-dihydroxybenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-2,6-dihydroxybenzaldehyde
PubChem CID90461716
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-(dimethylamino)-2,6-dihydroxybenzaldehyde
SMILESCN(C)c1cc(O)c(C=O)c(O)c1
InChIInChI=1S/C9H11NO3/c1-10(2)6-3-8(12)7(5-11)9(13)4-6/h3-5,12-13H,1-2H3
InChIKeyPXXRPKVZTOPQKF-UHFFFAOYSA-N
XLogP0.98
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.98
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

4-(Diethylamino)-2-hydroxybenzaldehyde
CID 87293
1-(2-Hydroxy-4-morpholin-4-ylphenyl)ethanone
CID 9859309
4-(Dimethylamino)-2-hydroxybenzaldehyde
CID 9815305
4-(Dimethylamino)salicylic acid
CID 89978
4-(Dimethylamino)-2-methoxybenzaldehyde
CID 291350
Methanone, (2,4-dihydroxyphenyl)[4-(dimethylamino)phenyl]-
CID 825840
2-Hydroxy-4-morpholin-4-yl-benzaldehyde
CID 9815659
2-Hydroxy-4-piperidin-1-ylbenzoic acid
CID 229856
4-(Diethylamino)-2-hydroxybenzoic acid
CID 89977
2-Hydroxy-4-(pyrrolidin-1-yl)benzaldehyde
CID 12716581
1-[4-(Dimethylamino)-2-hydroxyphenyl]ethan-1-one
CID 13782798
4-(Dibutylamino)salicylaldehyde
CID 18534534

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2,6-dihydroxybenzaldehyde?
The IUPAC name of 4-(dimethylamino)-2,6-dihydroxybenzaldehyde (CID 90461716) is 4-(dimethylamino)-2,6-dihydroxybenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-2,6-dihydroxybenzaldehyde?
The canonical SMILES for 4-(dimethylamino)-2,6-dihydroxybenzaldehyde is CN(C)c1cc(O)c(C=O)c(O)c1.
What is the InChIKey of 4-(dimethylamino)-2,6-dihydroxybenzaldehyde?
The InChIKey is PXXRPKVZTOPQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10(2)6-3-8(12)7(5-11)9(13)4-6/h3-5,12-13H,1-2H3.
What are the key properties of 4-(dimethylamino)-2,6-dihydroxybenzaldehyde?
4-(dimethylamino)-2,6-dihydroxybenzaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2,6-dihydroxybenzaldehyde is sourced from PubChem (CID 90461716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).