4-(2,4-dihydroxyphenyl)but-3-enoic acid

C10H10O4 — CID 170483156

IUPAC4-(2,4-dihydroxyphenyl)but-3-enoic acid
SMILESO=C(O)CC=Cc1ccc(O)cc1O
InChIInChI=1S/C10H10O4/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h1-2,4-6,11-12H,3H2,(H,13,14)
InChIKeyUNBXWCUQGJQCGD-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.59
Rot. Bonds3

About 4-(2,4-dihydroxyphenyl)but-3-enoic acid

4-(2,4-dihydroxyphenyl)but-3-enoic acid (PubChem CID 170483156) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)but-3-enoic acid
PubChem CID170483156
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name4-(2,4-dihydroxyphenyl)but-3-enoic acid
SMILESO=C(O)CC=Cc1ccc(O)cc1O
InChIInChI=1S/C10H10O4/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h1-2,4-6,11-12H,3H2,(H,13,14)
InChIKeyUNBXWCUQGJQCGD-UHFFFAOYSA-N
XLogP1.59
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)but-3-enoic acid?
The IUPAC name of 4-(2,4-dihydroxyphenyl)but-3-enoic acid (CID 170483156) is 4-(2,4-dihydroxyphenyl)but-3-enoic acid.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)but-3-enoic acid?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)but-3-enoic acid is O=C(O)CC=Cc1ccc(O)cc1O.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)but-3-enoic acid?
The InChIKey is UNBXWCUQGJQCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8-5-4-7(9(12)6-8)2-1-3-10(13)14/h1-2,4-6,11-12H,3H2,(H,13,14).
What are the key properties of 4-(2,4-dihydroxyphenyl)but-3-enoic acid?
4-(2,4-dihydroxyphenyl)but-3-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)but-3-enoic acid is sourced from PubChem (CID 170483156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).