(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid

C12H12O3 — CID 115023312

IUPAC(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C(\c1ccccc1O)C1CC1
InChIInChI=1S/C12H12O3/c13-11-4-2-1-3-9(11)10(7-12(14)15)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,14,15)/b10-7-
InChIKeyLZTMXNLPURJSHX-YFHOEESVSA-N
MW204.23 g/mol
LogP2.27
Rot. Bonds3

About (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid

(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid (PubChem CID 115023312) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid
PubChem CID115023312
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C(\c1ccccc1O)C1CC1
InChIInChI=1S/C12H12O3/c13-11-4-2-1-3-9(11)10(7-12(14)15)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,14,15)/b10-7-
InChIKeyLZTMXNLPURJSHX-YFHOEESVSA-N
XLogP2.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.27
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 (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid (CID 115023312) is (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid is O=C(O)/C=C(\c1ccccc1O)C1CC1.
What is the InChIKey of (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is LZTMXNLPURJSHX-YFHOEESVSA-N. The full InChI is InChI=1S/C12H12O3/c13-11-4-2-1-3-9(11)10(7-12(14)15)8-5-6-8/h1-4,7-8,13H,5-6H2,(H,14,15)/b10-7-.
What are the key properties of (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid?
(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 204.23 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 115023312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).