7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid

C20H25ClO2S — CID 15666579

IUPAC7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid
SMILESO=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClO2S/c21-18-12-10-16(11-13-18)6-5-8-19-17(14-15-24-19)7-3-1-2-4-9-20(22)23/h10-15H,1-9H2,(H,22,23)
InChIKeyIARBAADDPALBIU-UHFFFAOYSA-N
MW364.94 g/mol
LogP6.15
Rot. Bonds11

About 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid

7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid (PubChem CID 15666579) has the molecular formula C20H25ClO2S and a molecular weight of 364.94 g/mol. Its IUPAC name is 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid.

Molecular Properties

Compound Name7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid
PubChem CID15666579
Molecular FormulaC20H25ClO2S
Molecular Weight364.94 g/mol
Exact Mass364.13
IUPAC Name7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid
SMILESO=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClO2S/c21-18-12-10-16(11-13-18)6-5-8-19-17(14-15-24-19)7-3-1-2-4-9-20(22)23/h10-15H,1-9H2,(H,22,23)
InChIKeyIARBAADDPALBIU-UHFFFAOYSA-N
XLogP6.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.94
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic 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

6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid
CID 15666610
5-(2-chlorothiophen-3-yl)pentanoic acid
CID 175926039
7-[2-(3-phenylpropanoyl)thiophen-3-yl]heptanoic acid
CID 15666625
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
9-(4-chlorophenyl)-2-methylidenenonanoic acid
CID 20544233
9-[2-(4-chlorophenyl)ethylsulfonyl]nonanoic acid
CID 70396517
5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
CID 115219153
15-phenylpentadecanoic acid
CID 2737151
3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
7-(4-iodophenyl)heptanoic acid
CID 177483295
5-(4-chlorophenyl)pentanoyl fluoride
CID 142840558
6-(4-fluorophenyl)hexanoic acid
CID 14739735

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid?
The IUPAC name of 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid (CID 15666579) is 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid.
What is the SMILES notation for 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid?
The canonical SMILES for 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid is O=C(O)CCCCCCc1ccsc1CCCc1ccc(Cl)cc1.
What is the InChIKey of 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid?
The InChIKey is IARBAADDPALBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClO2S/c21-18-12-10-16(11-13-18)6-5-8-19-17(14-15-24-19)7-3-1-2-4-9-20(22)23/h10-15H,1-9H2,(H,22,23).
What are the key properties of 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid?
7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid has a molecular weight of 364.94 g/mol, XLogP of 6.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid is sourced from PubChem (CID 15666579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).