2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol

C17H17ClO2S — CID 114744615

IUPAC2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
SMILESOC(CSc1ccc(Cl)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H17ClO2S/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1,3,5-9,16,19H,2,4,10-11H2
InChIKeyZDOULSYHBLYUDI-UHFFFAOYSA-N
MW320.84 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol

2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol (PubChem CID 114744615) has the molecular formula C17H17ClO2S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
PubChem CID114744615
Molecular FormulaC17H17ClO2S
Molecular Weight320.84 g/mol
Exact Mass320.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol
SMILESOC(CSc1ccc(Cl)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C17H17ClO2S/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1,3,5-9,16,19H,2,4,10-11H2
InChIKeyZDOULSYHBLYUDI-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol 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

2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 114745649
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 106694050
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
(2-amino-4-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744548
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol (CID 114744615) is 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol is OC(CSc1ccc(Cl)cc1)c1cccc2c1OCCC2.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol?
The InChIKey is ZDOULSYHBLYUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2S/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1,3,5-9,16,19H,2,4,10-11H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol?
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol has a molecular weight of 320.84 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-chromen-8-yl)ethanol is sourced from PubChem (CID 114744615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).