(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid

C10H10O4 — CID 18785337

IUPAC(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(O)cc1O)C(=O)O
InChIInChI=1S/C10H10O4/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5,11-12H,1H3,(H,13,14)/b6-4+
InChIKeyCPKUPFCHHLJZBI-GQCTYLIASA-N
MW194.19 g/mol
LogP1.59
Rot. Bonds2

About (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid

(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid (PubChem CID 18785337) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
PubChem CID18785337
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid
SMILESC/C(=C\c1ccc(O)cc1O)C(=O)O
InChIInChI=1S/C10H10O4/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5,11-12H,1H3,(H,13,14)/b6-4+
InChIKeyCPKUPFCHHLJZBI-GQCTYLIASA-N
XLogP1.59
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dihydroxyphenyl)methylidene]propanedioic acid
CID 45093805
(E)-2-cyano-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
CID 131498816
(E)-3-[3,4-bis[(E)-2-carboxyprop-1-enyl]phenyl]-2-methylprop-2-enoic acid
CID 23193063
(Z)-2-(4-chlorophenyl)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid
CID 83955311
4-[2,3-diamino-4-(2,4-dihydroxyphenyl)buta-1,3-dienyl]benzene-1,3-diol
CID 154312775
magnesium;hydride;3-(4-hydroxyphenyl)-2-methylprop-2-enoic acid
CID 173177679
(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid
CID 22292345
benzene-1,3-diol;2-methylbut-2-enoic acid
CID 174283653
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-methylbut-2-enamide
CID 4531910
3-(5-hydroxy-2-methyl-6-oxopyran-3-yl)-2-methylprop-2-enoic acid
CID 85119260
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid (CID 18785337) is (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid is C/C(=C\c1ccc(O)cc1O)C(=O)O.
What is the InChIKey of (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid?
The InChIKey is CPKUPFCHHLJZBI-GQCTYLIASA-N. The full InChI is InChI=1S/C10H10O4/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5,11-12H,1H3,(H,13,14)/b6-4+.
What are the key properties of (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid?
(E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dihydroxyphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 18785337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).