2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol

C13H13ClO2S — CID 112749460

IUPAC2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)Cc1sccc1Cl
InChIInChI=1S/C13H13ClO2S/c1-16-12-5-3-2-4-9(12)11(15)8-13-10(14)6-7-17-13/h2-7,11,15H,8H2,1H3
InChIKeyIDXMSNVWCRIFJK-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol

2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol (PubChem CID 112749460) has the molecular formula C13H13ClO2S and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol
PubChem CID112749460
Molecular FormulaC13H13ClO2S
Molecular Weight268.77 g/mol
Exact Mass268.03
IUPAC Name2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(O)Cc1sccc1Cl
InChIInChI=1S/C13H13ClO2S/c1-16-12-5-3-2-4-9(12)11(15)8-13-10(14)6-7-17-13/h2-7,11,15H,8H2,1H3
InChIKeyIDXMSNVWCRIFJK-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chlorothiophen-2-yl)methoxy]phenyl]ethanol
CID 112749404
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
3-chloro-1-(2-methoxyphenyl)propan-1-ol
CID 22621589
2-[2-(hydroxymethyl)phenyl]-1-(2-methoxyphenyl)ethanol
CID 102015925
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
2-[1-(2-chlorophenyl)propan-2-ylamino]-1-(2-methoxyphenyl)ethanol
CID 18628145
1-benzothiophen-7-yl-(2-chloro-6-methoxyphenyl)methanol
CID 104817073
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 80530112

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol (CID 112749460) is 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(O)Cc1sccc1Cl.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol?
The InChIKey is IDXMSNVWCRIFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2S/c1-16-12-5-3-2-4-9(12)11(15)8-13-10(14)6-7-17-13/h2-7,11,15H,8H2,1H3.
What are the key properties of 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol?
2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol has a molecular weight of 268.77 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 112749460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).