(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid

C13H15ClO2 — CID 98061190

IUPAC(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
SMILESC/C(=C/c1ccc(Cl)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H15ClO2/c1-9(13(2,3)12(15)16)8-10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16)/b9-8-
InChIKeyZUJSAJQUBXASPX-HJWRWDBZSA-N
MW238.71 g/mol
LogP3.85
Rot. Bonds3

About (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid

(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid (PubChem CID 98061190) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
PubChem CID98061190
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid
SMILESC/C(=C/c1ccc(Cl)cc1)C(C)(C)C(=O)O
InChIInChI=1S/C13H15ClO2/c1-9(13(2,3)12(15)16)8-10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16)/b9-8-
InChIKeyZUJSAJQUBXASPX-HJWRWDBZSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
The IUPAC name of (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid (CID 98061190) is (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid.
What is the SMILES notation for (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
The canonical SMILES for (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid is C/C(=C/c1ccc(Cl)cc1)C(C)(C)C(=O)O.
What is the InChIKey of (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
The InChIKey is ZUJSAJQUBXASPX-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-9(13(2,3)12(15)16)8-10-4-6-11(14)7-5-10/h4-8H,1-3H3,(H,15,16)/b9-8-.
What are the key properties of (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid?
(Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid has a molecular weight of 238.71 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-chlorophenyl)-2,2,3-trimethylbut-3-enoic acid is sourced from PubChem (CID 98061190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).