2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde

C10H10O4 — CID 166062863

IUPAC2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
SMILESO=CCc1cc(O)c(CC=O)cc1O
InChIInChI=1S/C10H10O4/c11-3-1-7-5-10(14)8(2-4-12)6-9(7)13/h3-6,13-14H,1-2H2
InChIKeyQOUINNQVOYTECI-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.58
Rot. Bonds4

About 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde

2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde (PubChem CID 166062863) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
PubChem CID166062863
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
SMILESO=CCc1cc(O)c(CC=O)cc1O
InChIInChI=1S/C10H10O4/c11-3-1-7-5-10(14)8(2-4-12)6-9(7)13/h3-6,13-14H,1-2H2
InChIKeyQOUINNQVOYTECI-UHFFFAOYSA-N
XLogP0.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
2-(2-hydroxy-5-methylphenyl)acetaldehyde
CID 23471205
2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
CID 90219665
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646
2-(2-bromo-5-hydroxy-1-benzofuran-6-yl)acetaldehyde
CID 83900980
2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid
CID 19857297
2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
CID 83877987
2-[2-hydroxy-4-(methoxymethoxy)-5-methylphenyl]acetaldehyde
CID 118917332
2-(4-ethoxy-2-hydroxyphenyl)acetaldehyde
CID 87669895
2,4,5-tris(prop-2-enyl)phenol
CID 20562879
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
2-(3-bromo-4,5-difluoro-2-hydroxyphenyl)acetaldehyde
CID 83900436

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde (CID 166062863) is 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde is O=CCc1cc(O)c(CC=O)cc1O.
What is the InChIKey of 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde?
The InChIKey is QOUINNQVOYTECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-3-1-7-5-10(14)8(2-4-12)6-9(7)13/h3-6,13-14H,1-2H2.
What are the key properties of 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde?
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde has a molecular weight of 194.19 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde is sourced from PubChem (CID 166062863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).