3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid

C11H10O4 — CID 88526652

IUPAC3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1c(O)cccc1C=O)C(=O)O
InChIInChI=1S/C11H10O4/c1-7(11(14)15)5-9-8(6-12)3-2-4-10(9)13/h2-6,13H,1H3,(H,14,15)
InChIKeyUQHDXPMVXPRZEU-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.69
Rot. Bonds3

About 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid

3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid (PubChem CID 88526652) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid
PubChem CID88526652
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1c(O)cccc1C=O)C(=O)O
InChIInChI=1S/C11H10O4/c1-7(11(14)15)5-9-8(6-12)3-2-4-10(9)13/h2-6,13H,1H3,(H,14,15)
InChIKeyUQHDXPMVXPRZEU-UHFFFAOYSA-N
XLogP1.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-formylphenyl)-2-methylprop-2-enoic acid
CID 54486948
(E)-3-(3-ethenyl-2-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 139788872
2,3-dihydroxybenzaldehyde
CID 159243971
2-methyl-3-[2-(methylsulfamoyl)phenyl]prop-2-enoic acid
CID 66674641
3-(2-carboxyprop-1-enyl)phthalic acid
CID 66924424
[2-[(E)-2-carboxyprop-1-enyl]phenyl]-methylazanium;ethane
CID 156805282
3-acetyl-2-hydroxybenzaldehyde
CID 10975813
(E)-3-(3-chloro-2-fluorophenyl)-2-methylprop-2-enoic acid
CID 122235620
(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
CID 18785337
(E)-3-(2-ethylphenyl)-2-methylprop-2-enoic acid
CID 19101070
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
(E)-3-anthracen-1-yl-2-methylprop-2-enoic acid
CID 22062621

Frequently Asked Questions

What is the IUPAC name of 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid (CID 88526652) is 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid is CC(=Cc1c(O)cccc1C=O)C(=O)O.
What is the InChIKey of 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid?
The InChIKey is UQHDXPMVXPRZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-7(11(14)15)5-9-8(6-12)3-2-4-10(9)13/h2-6,13H,1H3,(H,14,15).
What are the key properties of 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid?
3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-formyl-6-hydroxyphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 88526652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).