3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid

C15H16O3S — CID 43132063

IUPAC3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
SMILESCC(C)c1ccc(SCc2ccoc2C(=O)O)cc1
InChIInChI=1S/C15H16O3S/c1-10(2)11-3-5-13(6-4-11)19-9-12-7-8-18-14(12)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyFPZLVRXRNOLVBP-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.39
Rot. Bonds5

About 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid

3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid (PubChem CID 43132063) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
PubChem CID43132063
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
SMILESCC(C)c1ccc(SCc2ccoc2C(=O)O)cc1
InChIInChI=1S/C15H16O3S/c1-10(2)11-3-5-13(6-4-11)19-9-12-7-8-18-14(12)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17)
InChIKeyFPZLVRXRNOLVBP-UHFFFAOYSA-N
XLogP4.39
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic 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-amino-3-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 79148353
3-[(3-chloro-4-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43244556
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43131920
3-[(2-amino-4-methylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 61319252
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 22680377
3-[(2,4-difluorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 43244559
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
3-[(4-hydroxyphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63580715
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 104602555
3-(2-hydroxyethylsulfanylmethyl)furan-2-carboxylic acid
CID 43617356

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid (CID 43132063) is 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid is CC(C)c1ccc(SCc2ccoc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid?
The InChIKey is FPZLVRXRNOLVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-10(2)11-3-5-13(6-4-11)19-9-12-7-8-18-14(12)15(16)17/h3-8,10H,9H2,1-2H3,(H,16,17).
What are the key properties of 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid?
3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid is sourced from PubChem (CID 43132063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).