(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid

C12H14O2 — CID 719753

IUPAC(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
SMILESCC(C)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)/b8-5+
InChIKeySJDOOXOUSJDYFE-VMPITWQZSA-N
MW190.24 g/mol
LogP2.91
Rot. Bonds3

About (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid

(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid (PubChem CID 719753) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
PubChem CID719753
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
SMILESCC(C)c1ccc(/C=C/C(=O)O)cc1
InChIInChI=1S/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)/b8-5+
InChIKeySJDOOXOUSJDYFE-VMPITWQZSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-propan-2-ylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid (CID 719753) is (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid is CC(C)c1ccc(/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid?
The InChIKey is SJDOOXOUSJDYFE-VMPITWQZSA-N. The full InChI is InChI=1S/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)/b8-5+.
What are the key properties of (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid?
(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid has a molecular weight of 190.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 719753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).