2-ethoxy-6-(3-sulfanylpropyl)phenol

C11H16O2S — CID 83930701

IUPAC2-ethoxy-6-(3-sulfanylpropyl)phenol
SMILESCCOc1cccc(CCCS)c1O
InChIInChI=1S/C11H16O2S/c1-2-13-10-7-3-5-9(11(10)12)6-4-8-14/h3,5,7,12,14H,2,4,6,8H2,1H3
InChIKeyWONYGGQYVAOQEC-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.65
Rot. Bonds5

About 2-ethoxy-6-(3-sulfanylpropyl)phenol

2-ethoxy-6-(3-sulfanylpropyl)phenol (PubChem CID 83930701) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-ethoxy-6-(3-sulfanylpropyl)phenol.

Molecular Properties

Compound Name2-ethoxy-6-(3-sulfanylpropyl)phenol
PubChem CID83930701
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-ethoxy-6-(3-sulfanylpropyl)phenol
SMILESCCOc1cccc(CCCS)c1O
InChIInChI=1S/C11H16O2S/c1-2-13-10-7-3-5-9(11(10)12)6-4-8-14/h3,5,7,12,14H,2,4,6,8H2,1H3
InChIKeyWONYGGQYVAOQEC-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-heptadecylphenol
CID 10499794
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
2-ethoxy-6-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenol
CID 61238543
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-ethoxy-6-methylphenol
CID 14911944
2-ethoxy-6-[(pent-4-ynylamino)methyl]phenol
CID 103701805
2-heptadecyl-6-methoxyphenol
CID 10713705
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-ethoxy-6-iodophenol
CID 171366674

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(3-sulfanylpropyl)phenol?
The IUPAC name of 2-ethoxy-6-(3-sulfanylpropyl)phenol (CID 83930701) is 2-ethoxy-6-(3-sulfanylpropyl)phenol.
What is the SMILES notation for 2-ethoxy-6-(3-sulfanylpropyl)phenol?
The canonical SMILES for 2-ethoxy-6-(3-sulfanylpropyl)phenol is CCOc1cccc(CCCS)c1O.
What is the InChIKey of 2-ethoxy-6-(3-sulfanylpropyl)phenol?
The InChIKey is WONYGGQYVAOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-2-13-10-7-3-5-9(11(10)12)6-4-8-14/h3,5,7,12,14H,2,4,6,8H2,1H3.
What are the key properties of 2-ethoxy-6-(3-sulfanylpropyl)phenol?
2-ethoxy-6-(3-sulfanylpropyl)phenol has a molecular weight of 212.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(3-sulfanylpropyl)phenol is sourced from PubChem (CID 83930701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).