4-(2,6-dihydroxyphenyl)but-3-enal

C10H10O3 — CID 170481439

IUPAC4-(2,6-dihydroxyphenyl)but-3-enal
SMILESO=CCC=Cc1c(O)cccc1O
InChIInChI=1S/C10H10O3/c11-7-2-1-4-8-9(12)5-3-6-10(8)13/h1,3-7,12-13H,2H2
InChIKeyYXZIIHUAOUATJN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.70
Rot. Bonds3

About 4-(2,6-dihydroxyphenyl)but-3-enal

4-(2,6-dihydroxyphenyl)but-3-enal (PubChem CID 170481439) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(2,6-dihydroxyphenyl)but-3-enal.

Molecular Properties

Compound Name4-(2,6-dihydroxyphenyl)but-3-enal
PubChem CID170481439
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-(2,6-dihydroxyphenyl)but-3-enal
SMILESO=CCC=Cc1c(O)cccc1O
InChIInChI=1S/C10H10O3/c11-7-2-1-4-8-9(12)5-3-6-10(8)13/h1,3-7,12-13H,2H2
InChIKeyYXZIIHUAOUATJN-UHFFFAOYSA-N
XLogP1.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-(4-oxobut-1-enyl)benzaldehyde
CID 170481716
4-(3-hydroxy-2-methylphenyl)but-3-enal
CID 170481478
2-(4-chlorobut-1-enyl)benzene-1,3-diol
CID 170498728
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
4-(2-amino-6-methylphenyl)but-3-enal
CID 170481576
4-(2,3,4,5,6-pentafluorophenyl)but-3-enal
CID 90924056
2-hydroxy-5-(4-oxobut-1-enyl)benzamide
CID 170482288
2-fluoro-6-(4-oxobut-1-enyl)benzaldehyde
CID 170481762
4-(3-fluoro-4-hydroxyphenyl)but-3-enal
CID 170481448
2-hydroxy-5-(4-oxobut-1-enyl)benzaldehyde
CID 170481700
2-hydroxy-4-(4-oxobut-1-enyl)benzaldehyde
CID 170481714
4-(2-methyl-6-nitrophenyl)but-3-enal
CID 170482299

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dihydroxyphenyl)but-3-enal?
The IUPAC name of 4-(2,6-dihydroxyphenyl)but-3-enal (CID 170481439) is 4-(2,6-dihydroxyphenyl)but-3-enal.
What is the SMILES notation for 4-(2,6-dihydroxyphenyl)but-3-enal?
The canonical SMILES for 4-(2,6-dihydroxyphenyl)but-3-enal is O=CCC=Cc1c(O)cccc1O.
What is the InChIKey of 4-(2,6-dihydroxyphenyl)but-3-enal?
The InChIKey is YXZIIHUAOUATJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-7-2-1-4-8-9(12)5-3-6-10(8)13/h1,3-7,12-13H,2H2.
What are the key properties of 4-(2,6-dihydroxyphenyl)but-3-enal?
4-(2,6-dihydroxyphenyl)but-3-enal has a molecular weight of 178.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dihydroxyphenyl)but-3-enal is sourced from PubChem (CID 170481439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).