2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol

C14H15ClO2S — CID 106790809

IUPAC2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)ccc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClO2S/c1-9-3-5-11(13(7-9)17-2)12(16)8-10-4-6-14(15)18-10/h3-7,12,16H,8H2,1-2H3
InChIKeyNDKKLSHEOLEYIZ-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.99
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol

2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol (PubChem CID 106790809) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
PubChem CID106790809
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
SMILESCOc1cc(C)ccc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C14H15ClO2S/c1-9-3-5-11(13(7-9)17-2)12(16)8-10-4-6-14(15)18-10/h3-7,12,16H,8H2,1-2H3
InChIKeyNDKKLSHEOLEYIZ-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)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

1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093
2-(2,5-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790756
2-(5-chlorothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115786008
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
2-(2,6-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791042
2-(2-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790626
[1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105296071
2-(5-ethylthiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791616
2-(5-chlorothiophen-2-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 65148256
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535
2-(5-chlorothiophen-2-yl)-1-(4-fluoro-2-iodophenyl)ethanol
CID 114030376

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol (CID 106790809) is 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol is COc1cc(C)ccc1C(O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol?
The InChIKey is NDKKLSHEOLEYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-9-3-5-11(13(7-9)17-2)12(16)8-10-4-6-14(15)18-10/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol?
2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol has a molecular weight of 282.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 106790809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).