1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol

C17H15ClO2S — CID 115788688

IUPAC1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc2ccccc2s1
InChIInChI=1S/C17H15ClO2S/c1-20-15-7-6-13(18)8-12(15)9-14(19)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,14,19H,9H2,1H3
InChIKeyCLDKCEPXDLNNMH-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.84
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol

1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 115788688) has the molecular formula C17H15ClO2S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID115788688
Molecular FormulaC17H15ClO2S
Molecular Weight318.83 g/mol
Exact Mass318.05
IUPAC Name1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
SMILESCOc1ccc(Cl)cc1CC(O)c1cc2ccccc2s1
InChIInChI=1S/C17H15ClO2S/c1-20-15-7-6-13(18)8-12(15)9-14(19)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,14,19H,9H2,1H3
InChIKeyCLDKCEPXDLNNMH-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 115781415
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150275
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 63083648
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148612
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 62608604
1-(2-chloro-3-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788734
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
CID 63661823
2-(5-chloro-2-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115788665
1-(4-bromo-2-methylphenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 115788606
2-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115788745
(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 114980831

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol (CID 115788688) is 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol is COc1ccc(Cl)cc1CC(O)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is CLDKCEPXDLNNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2S/c1-20-15-7-6-13(18)8-12(15)9-14(19)17-10-11-4-2-3-5-16(11)21-17/h2-8,10,14,19H,9H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol?
1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 318.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 115788688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).