5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid

C19H21ClO3S — CID 19878721

IUPAC5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid
SMILESCc1ccc(SC(CCCOCc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C19H21ClO3S/c1-14-4-10-17(11-5-14)24-18(19(21)22)3-2-12-23-13-15-6-8-16(20)9-7-15/h4-11,18H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyDLTCZLKZUIRNIW-UHFFFAOYSA-N
MW364.89 g/mol
LogP5.19
Rot. Bonds9

About 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid

5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid (PubChem CID 19878721) has the molecular formula C19H21ClO3S and a molecular weight of 364.89 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid
PubChem CID19878721
Molecular FormulaC19H21ClO3S
Molecular Weight364.89 g/mol
Exact Mass364.09
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid
SMILESCc1ccc(SC(CCCOCc2ccc(Cl)cc2)C(=O)O)cc1
InChIInChI=1S/C19H21ClO3S/c1-14-4-10-17(11-5-14)24-18(19(21)22)3-2-12-23-13-15-6-8-16(20)9-7-15/h4-11,18H,2-3,12-13H2,1H3,(H,21,22)
InChIKeyDLTCZLKZUIRNIW-UHFFFAOYSA-N
XLogP5.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.89
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic 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 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid (CID 19878721) is 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid is Cc1ccc(SC(CCCOCc2ccc(Cl)cc2)C(=O)O)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid?
The InChIKey is DLTCZLKZUIRNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO3S/c1-14-4-10-17(11-5-14)24-18(19(21)22)3-2-12-23-13-15-6-8-16(20)9-7-15/h4-11,18H,2-3,12-13H2,1H3,(H,21,22).
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid?
5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid has a molecular weight of 364.89 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)sulfanylpentanoic acid is sourced from PubChem (CID 19878721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).