(Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid

C24H36O3 — CID 10738059

IUPAC(Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid
SMILESCCCCCCCCCCCCCCc1ccc(C(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23(25)19-20-24(26)27/h15-20H,2-14H2,1H3,(H,26,27)/b20-19-
InChIKeyGGFIQSYMJCVTGC-VXPUYCOJSA-N
MW372.55 g/mol
LogP6.75
Rot. Bonds16

About (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid

(Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid (PubChem CID 10738059) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid
PubChem CID10738059
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Name(Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid
SMILESCCCCCCCCCCCCCCc1ccc(C(=O)/C=C\C(=O)O)cc1
InChIInChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23(25)19-20-24(26)27/h15-20H,2-14H2,1H3,(H,26,27)/b20-19-
InChIKeyGGFIQSYMJCVTGC-VXPUYCOJSA-N
XLogP6.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-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

Related Compounds

3-[4-[3-(4-octylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl chloride
CID 154110005
(Z)-3-methyl-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid
CID 10500384
4-(4-dodecylphenyl)benzoic acid
CID 3092136
(E)-1-(4-dodecylphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 19824615
(E)-3-(4-methylsulfanylphenyl)-1-(4-nonylphenyl)prop-2-en-1-one
CID 19824573
4-[(E)-octadec-9-enyl]benzoic acid
CID 67928676
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
(E)-3-bromo-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid
CID 10813476
4-pentylbenzoyl bromide
CID 87349955
4-octylbenzamide;hydrochloride
CID 131740255
sodium 4-decylbenzoate
CID 68743346
4-(4-heptylphenyl)-4-oxobutanoic acid
CID 2801472

Frequently Asked Questions

What is the IUPAC name of (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid?
The IUPAC name of (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid (CID 10738059) is (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid.
What is the SMILES notation for (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid?
The canonical SMILES for (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid is CCCCCCCCCCCCCCc1ccc(C(=O)/C=C\C(=O)O)cc1.
What is the InChIKey of (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid?
The InChIKey is GGFIQSYMJCVTGC-VXPUYCOJSA-N. The full InChI is InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-15-17-22(18-16-21)23(25)19-20-24(26)27/h15-20H,2-14H2,1H3,(H,26,27)/b20-19-.
What are the key properties of (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid?
(Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid has a molecular weight of 372.55 g/mol, XLogP of 6.75, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-oxo-4-(4-tetradecylphenyl)but-2-enoic acid is sourced from PubChem (CID 10738059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).