2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol

C13H13ClO2S — CID 105112926

IUPAC2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClO2S/c1-9-6-7-17-13(9)12(15)8-16-11-4-2-10(14)3-5-11/h2-7,12,15H,8H2,1H3
InChIKeyFLJIIXOZPMYEME-UHFFFAOYSA-N
MW268.76 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol

2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 105112926) has the molecular formula C13H13ClO2S and a molecular weight of 268.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID105112926
Molecular FormulaC13H13ClO2S
Molecular Weight268.76 g/mol
Exact Mass268.03
IUPAC Name2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClO2S/c1-9-6-7-17-13(9)12(15)8-16-11-4-2-10(14)3-5-11/h2-7,12,15H,8H2,1H3
InChIKeyFLJIIXOZPMYEME-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-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-chlorophenoxy)-1-(3-chlorothiophen-2-yl)ethanol
CID 107361953
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
2-(4-chlorophenoxy)-1-(2-methylphenyl)ethanol
CID 113338071
2-(4-chlorophenoxy)-1-(3,4-dimethylphenyl)ethanol
CID 105091612
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 90496966
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
2-(4-chlorophenoxy)-1-(2-ethoxyphenyl)ethanol
CID 105095796
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol (CID 105112926) is 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is FLJIIXOZPMYEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c1-9-6-7-17-13(9)12(15)8-16-11-4-2-10(14)3-5-11/h2-7,12,15H,8H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol?
2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 268.76 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 105112926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).