(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid

C9H8O4 — CID 636708

IUPAC(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(O)cc1
InChIInChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-
InChIKeyGQYBCIHRWMPOOF-YVMONPNESA-N
MW180.16 g/mol
LogP1.38
Rot. Bonds2

About (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid

(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid (PubChem CID 636708) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
PubChem CID636708
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccc(O)cc1
InChIInChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-
InChIKeyGQYBCIHRWMPOOF-YVMONPNESA-N
XLogP1.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid (CID 636708) is (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid is O=C(O)/C(O)=C/c1ccc(O)cc1.
What is the InChIKey of (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is GQYBCIHRWMPOOF-YVMONPNESA-N. The full InChI is InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-.
What are the key properties of (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid?
(Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 180.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 636708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).