1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol

C13H13ClO3S — CID 117240074

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol
SMILESCOc1ccccc1OCC(O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClO3S/c1-16-10-4-2-3-5-11(10)17-8-9(15)12-6-7-13(14)18-12/h2-7,9,15H,8H2,1H3
InChIKeyRUBZUKKPUVECPR-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.52
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol

1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol (PubChem CID 117240074) has the molecular formula C13H13ClO3S and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol
PubChem CID117240074
Molecular FormulaC13H13ClO3S
Molecular Weight284.76 g/mol
Exact Mass284.03
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol
SMILESCOc1ccccc1OCC(O)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClO3S/c1-16-10-4-2-3-5-11(10)17-8-9(15)12-6-7-13(14)18-12/h2-7,9,15H,8H2,1H3
InChIKeyRUBZUKKPUVECPR-UHFFFAOYSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol
CID 117240073
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240491
2-(5-chloro-2-methoxyphenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150275
2-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240543
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117239992
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol (CID 117240074) is 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol is COc1ccccc1OCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol?
The InChIKey is RUBZUKKPUVECPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO3S/c1-16-10-4-2-3-5-11(10)17-8-9(15)12-6-7-13(14)18-12/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol?
1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol has a molecular weight of 284.76 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol is sourced from PubChem (CID 117240074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).