2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol

C12H11ClO3S — CID 117240073

IUPAC2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol
SMILESOc1ccccc1OCC(O)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClO3S/c13-12-6-5-11(17-12)9(15)7-16-10-4-2-1-3-8(10)14/h1-6,9,14-15H,7H2
InChIKeyYIDUIKRELHABBK-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.22
Rot. Bonds4

About 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol

2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol (PubChem CID 117240073) has the molecular formula C12H11ClO3S and a molecular weight of 270.74 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol
PubChem CID117240073
Molecular FormulaC12H11ClO3S
Molecular Weight270.74 g/mol
Exact Mass270.01
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol
SMILESOc1ccccc1OCC(O)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClO3S/c13-12-6-5-11(17-12)9(15)7-16-10-4-2-1-3-8(10)14/h1-6,9,14-15H,7H2
InChIKeyYIDUIKRELHABBK-UHFFFAOYSA-N
XLogP3.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(2-methoxyphenoxy)ethanol
CID 117240074
2-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240543
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240491
1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 61469219
1-(5-methylthiophen-2-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117239992
1-(5-chlorothiophen-2-yl)-4-phenylbutan-1-ol
CID 65149922
2-(2-hydroxybutoxy)phenol
CID 58593134
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
1-(5-chlorothiophen-2-yl)-3-(2-methylphenyl)propan-1-ol
CID 105119687
1-(5-chlorothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119763
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol (CID 117240073) is 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol is Oc1ccccc1OCC(O)c1ccc(Cl)s1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol?
The InChIKey is YIDUIKRELHABBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3S/c13-12-6-5-11(17-12)9(15)7-16-10-4-2-1-3-8(10)14/h1-6,9,14-15H,7H2.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol?
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol has a molecular weight of 270.74 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethoxy]phenol is sourced from PubChem (CID 117240073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).