1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol

C13H13ClO2S — CID 103465512

IUPAC1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClO2S/c1-16-9-13(15,10-5-3-2-4-6-10)11-7-8-12(14)17-11/h2-8,15H,9H2,1H3
InChIKeyKSFMNMYIOCTQNQ-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.28
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol

1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol (PubChem CID 103465512) has the molecular formula C13H13ClO2S and a molecular weight of 268.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
PubChem CID103465512
Molecular FormulaC13H13ClO2S
Molecular Weight268.77 g/mol
Exact Mass268.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol
SMILESCOCC(O)(c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClO2S/c1-16-9-13(15,10-5-3-2-4-6-10)11-7-8-12(14)17-11/h2-8,15H,9H2,1H3
InChIKeyKSFMNMYIOCTQNQ-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-methylphenyl)-1-phenylethanol
CID 50903538
1-(2,6-dimethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465566
2-methoxy-1-(2-methoxyphenyl)-1-phenylethanol
CID 103465436
2-methoxy-1-phenyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103465713
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methoxy-1-phenylethanol
CID 106761585
2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine
CID 112566303
1-(2-ethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465363
1-(5-chlorothiophen-2-yl)-2-(methoxymethyl)butan-2-ol
CID 65149389
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-methoxy-2-phenylheptan-2-ol
CID 103465294
1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465604

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol (CID 103465512) is 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol is COCC(O)(c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol?
The InChIKey is KSFMNMYIOCTQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c1-16-9-13(15,10-5-3-2-4-6-10)11-7-8-12(14)17-11/h2-8,15H,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol?
1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol has a molecular weight of 268.77 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-methoxy-1-phenylethanol is sourced from PubChem (CID 103465512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).