2-(3-methoxyphenyl)sulfanylethanol

C9H12O2S — CID 2759720

IUPAC2-(3-methoxyphenyl)sulfanylethanol
SMILESCOc1cccc(SCCO)c1
InChIInChI=1S/C9H12O2S/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7,10H,5-6H2,1H3
InChIKeyUCFAUSJHEHOGDI-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.78
Rot. Bonds4

About 2-(3-methoxyphenyl)sulfanylethanol

2-(3-methoxyphenyl)sulfanylethanol (PubChem CID 2759720) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanylethanol
PubChem CID2759720
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name2-(3-methoxyphenyl)sulfanylethanol
SMILESCOc1cccc(SCCO)c1
InChIInChI=1S/C9H12O2S/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7,10H,5-6H2,1H3
InChIKeyUCFAUSJHEHOGDI-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[methyl(methylidene)-λ4-sulfanyl]oxyphenyl]sulfanylethanol
CID 58107240
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744
4-(3-methoxyphenyl)sulfanyl-2,2-dimethylbutanenitrile
CID 65176494
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
(2R)-1-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 106933261
6-(3-methoxyphenyl)sulfanylhexan-3-one
CID 104623576
N-ethyl-3-(3-methoxyphenyl)sulfanylpropan-1-amine
CID 61385948
3-(3-methoxyphenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 61385968
3-(3-methoxyphenyl)sulfanylpropyl methanesulfonate
CID 102166048
2-(cyclopropylamino)-4-(3-methoxyphenyl)sulfanyl-2-methylbutan-1-ol
CID 64807612
5-(3-methoxyphenyl)sulfanylpentanehydrazide
CID 63580608
3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 47154225

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanylethanol?
The IUPAC name of 2-(3-methoxyphenyl)sulfanylethanol (CID 2759720) is 2-(3-methoxyphenyl)sulfanylethanol.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanylethanol?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanylethanol is COc1cccc(SCCO)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanylethanol?
The InChIKey is UCFAUSJHEHOGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanylethanol?
2-(3-methoxyphenyl)sulfanylethanol has a molecular weight of 184.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanylethanol is sourced from PubChem (CID 2759720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).