(Z)-2-hydroxy-3-phenylprop-2-enoic acid

C9H8O3 — CID 641637

IUPAC(Z)-2-hydroxy-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccccc1
InChIInChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-
InChIKeyDEDGUGJNLNLJSR-VURMDHGXSA-N
MW164.16 g/mol
LogP1.67
Rot. Bonds2

About (Z)-2-hydroxy-3-phenylprop-2-enoic acid

(Z)-2-hydroxy-3-phenylprop-2-enoic acid (PubChem CID 641637) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-phenylprop-2-enoic acid
PubChem CID641637
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(Z)-2-hydroxy-3-phenylprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1ccccc1
InChIInChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-
InChIKeyDEDGUGJNLNLJSR-VURMDHGXSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-phenylprop-2-enoic acid?
The IUPAC name of (Z)-2-hydroxy-3-phenylprop-2-enoic acid (CID 641637) is (Z)-2-hydroxy-3-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxy-3-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxy-3-phenylprop-2-enoic acid is O=C(O)/C(O)=C/c1ccccc1.
What is the InChIKey of (Z)-2-hydroxy-3-phenylprop-2-enoic acid?
The InChIKey is DEDGUGJNLNLJSR-VURMDHGXSA-N. The full InChI is InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6-.
What are the key properties of (Z)-2-hydroxy-3-phenylprop-2-enoic acid?
(Z)-2-hydroxy-3-phenylprop-2-enoic acid has a molecular weight of 164.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-phenylprop-2-enoic acid is sourced from PubChem (CID 641637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).