3-(3-ethoxypropylsulfanyl)phenol

C11H16O2S — CID 104590102

IUPAC3-(3-ethoxypropylsulfanyl)phenol
SMILESCCOCCCSc1cccc(O)c1
InChIInChI=1S/C11H16O2S/c1-2-13-7-4-8-14-11-6-3-5-10(12)9-11/h3,5-6,9,12H,2,4,7-8H2,1H3
InChIKeyCYGAXQWREOQGRK-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.91
Rot. Bonds6

About 3-(3-ethoxypropylsulfanyl)phenol

3-(3-ethoxypropylsulfanyl)phenol (PubChem CID 104590102) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-(3-ethoxypropylsulfanyl)phenol.

Molecular Properties

Compound Name3-(3-ethoxypropylsulfanyl)phenol
PubChem CID104590102
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3-(3-ethoxypropylsulfanyl)phenol
SMILESCCOCCCSc1cccc(O)c1
InChIInChI=1S/C11H16O2S/c1-2-13-7-4-8-14-11-6-3-5-10(12)9-11/h3,5-6,9,12H,2,4,7-8H2,1H3
InChIKeyCYGAXQWREOQGRK-UHFFFAOYSA-N
XLogP2.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethoxypropylsulfanyl)benzoic acid
CID 65176664
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
N-[[3-(3-ethoxypropylsulfanyl)phenyl]methyl]propan-1-amine
CID 66347667
3-[2-(ethylamino)ethylsulfanyl]phenol
CID 104591079
3-(3-aminobutylsulfanyl)phenol
CID 84667848
N-[2-(3-bromophenyl)sulfanylethyl]-3-ethoxypropan-1-amine
CID 62804272
3-[2-(2-methylphenoxy)ethylsulfanyl]phenol
CID 104590716
3-(2-hydroxybutylsulfanyl)phenol
CID 104590052
3-(cyclopropylmethoxymethylsulfanyl)phenol
CID 106930422
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031
3-(cyclopropylmethylsulfanyl)phenol
CID 112623566

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropylsulfanyl)phenol?
The IUPAC name of 3-(3-ethoxypropylsulfanyl)phenol (CID 104590102) is 3-(3-ethoxypropylsulfanyl)phenol.
What is the SMILES notation for 3-(3-ethoxypropylsulfanyl)phenol?
The canonical SMILES for 3-(3-ethoxypropylsulfanyl)phenol is CCOCCCSc1cccc(O)c1.
What is the InChIKey of 3-(3-ethoxypropylsulfanyl)phenol?
The InChIKey is CYGAXQWREOQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-2-13-7-4-8-14-11-6-3-5-10(12)9-11/h3,5-6,9,12H,2,4,7-8H2,1H3.
What are the key properties of 3-(3-ethoxypropylsulfanyl)phenol?
3-(3-ethoxypropylsulfanyl)phenol has a molecular weight of 212.31 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylsulfanyl)phenol is sourced from PubChem (CID 104590102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).