2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol

C9H11ClO2S — CID 114865536

IUPAC2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol
SMILESOCCSc1cc(Cl)ccc1CO
InChIInChI=1S/C9H11ClO2S/c10-8-2-1-7(6-12)9(5-8)13-4-3-11/h1-2,5,11-12H,3-4,6H2
InChIKeyWKVZJGQUVJVXDR-UHFFFAOYSA-N
MW218.70 g/mol
LogP1.92
Rot. Bonds4

About 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol

2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol (PubChem CID 114865536) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol
PubChem CID114865536
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol
SMILESOCCSc1cc(Cl)ccc1CO
InChIInChI=1S/C9H11ClO2S/c10-8-2-1-7(6-12)9(5-8)13-4-3-11/h1-2,5,11-12H,3-4,6H2
InChIKeyWKVZJGQUVJVXDR-UHFFFAOYSA-N
XLogP1.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]sulfanylethanol
CID 114864407
methyl 3-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylpropanoate
CID 114865525
3-[5-chloro-2-(hydroxymethyl)phenyl]sulfanyl-2-methylpropan-1-ol
CID 114865683
4-chloro-2-(2-hydroxyethylsulfanyl)benzaldehyde
CID 114863676
3-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 114864996
(4-chloro-2-cyclopentylsulfanylphenyl)methanol
CID 114865639
2-(4-chloro-2-propylsulfanylphenyl)ethanamine
CID 114865787
6-(2-amino-5-chlorophenyl)sulfanylhexan-1-ol
CID 107704002
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
2-[4-chloro-2-(3-methylbutylsulfanyl)phenyl]ethanamine
CID 107762530
4-chloro-2-(3-hydroxypropylsulfanyl)benzaldehyde
CID 114863759
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
CID 69113345

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol?
The IUPAC name of 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol (CID 114865536) is 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol.
What is the SMILES notation for 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol?
The canonical SMILES for 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol is OCCSc1cc(Cl)ccc1CO.
What is the InChIKey of 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol?
The InChIKey is WKVZJGQUVJVXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c10-8-2-1-7(6-12)9(5-8)13-4-3-11/h1-2,5,11-12H,3-4,6H2.
What are the key properties of 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol?
2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol has a molecular weight of 218.70 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylethanol is sourced from PubChem (CID 114865536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).