2-methoxy-4-propyl-5-sulfanylphenol

C10H14O2S — CID 162818092

IUPAC2-methoxy-4-propyl-5-sulfanylphenol
SMILESCCCc1cc(OC)c(O)cc1S
InChIInChI=1S/C10H14O2S/c1-3-4-7-5-9(12-2)8(11)6-10(7)13/h5-6,11,13H,3-4H2,1-2H3
InChIKeyMVUVCZNPJJBKBB-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.64
Rot. Bonds3

About 2-methoxy-4-propyl-5-sulfanylphenol

2-methoxy-4-propyl-5-sulfanylphenol (PubChem CID 162818092) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methoxy-4-propyl-5-sulfanylphenol.

Molecular Properties

Compound Name2-methoxy-4-propyl-5-sulfanylphenol
PubChem CID162818092
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-methoxy-4-propyl-5-sulfanylphenol
SMILESCCCc1cc(OC)c(O)cc1S
InChIInChI=1S/C10H14O2S/c1-3-4-7-5-9(12-2)8(11)6-10(7)13/h5-6,11,13H,3-4H2,1-2H3
InChIKeyMVUVCZNPJJBKBB-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propyl-5-sulfanylphenol?
The IUPAC name of 2-methoxy-4-propyl-5-sulfanylphenol (CID 162818092) is 2-methoxy-4-propyl-5-sulfanylphenol.
What is the SMILES notation for 2-methoxy-4-propyl-5-sulfanylphenol?
The canonical SMILES for 2-methoxy-4-propyl-5-sulfanylphenol is CCCc1cc(OC)c(O)cc1S.
What is the InChIKey of 2-methoxy-4-propyl-5-sulfanylphenol?
The InChIKey is MVUVCZNPJJBKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-4-7-5-9(12-2)8(11)6-10(7)13/h5-6,11,13H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-4-propyl-5-sulfanylphenol?
2-methoxy-4-propyl-5-sulfanylphenol has a molecular weight of 198.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propyl-5-sulfanylphenol is sourced from PubChem (CID 162818092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).