(E)-3-(2-hydroxyphenyl)prop-2-enoic acid

C9H8O3 — CID 637540

IUPAC(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1O
InChIInChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKeyPMOWTIHVNWZYFI-AATRIKPKSA-N
MW164.16 g/mol
LogP1.49
Rot. Bonds2

About (E)-3-(2-hydroxyphenyl)prop-2-enoic acid

(E)-3-(2-hydroxyphenyl)prop-2-enoic acid (PubChem CID 637540) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
PubChem CID637540
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1O
InChIInChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKeyPMOWTIHVNWZYFI-AATRIKPKSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(2-hydroxyphenyl)prop-2-enoic acid (CID 637540) is (E)-3-(2-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(2-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(2-hydroxyphenyl)prop-2-enoic acid is O=C(O)/C=C/c1ccccc1O.
What is the InChIKey of (E)-3-(2-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is PMOWTIHVNWZYFI-AATRIKPKSA-N. The full InChI is InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+.
What are the key properties of (E)-3-(2-hydroxyphenyl)prop-2-enoic acid?
(E)-3-(2-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 164.16 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 637540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).