2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid

C16H15FO3S — CID 21496256

IUPAC2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid
SMILESO=C(O)CSC(CO)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H15FO3S/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15(9-18)21-10-16(19)20/h1-8,15,18H,9-10H2,(H,19,20)
InChIKeyCYHFCGCBCDZSSP-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.34
Rot. Bonds6

About 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid

2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid (PubChem CID 21496256) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid
PubChem CID21496256
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid
SMILESO=C(O)CSC(CO)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H15FO3S/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15(9-18)21-10-16(19)20/h1-8,15,18H,9-10H2,(H,19,20)
InChIKeyCYHFCGCBCDZSSP-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic 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 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid?
The IUPAC name of 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid (CID 21496256) is 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid?
The canonical SMILES for 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid is O=C(O)CSC(CO)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid?
The InChIKey is CYHFCGCBCDZSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15(9-18)21-10-16(19)20/h1-8,15,18H,9-10H2,(H,19,20).
What are the key properties of 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid?
2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid has a molecular weight of 306.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-fluorophenyl)phenyl]-2-hydroxyethyl]sulfanylacetic acid is sourced from PubChem (CID 21496256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).