2-methoxy-6-(2-sulfanylpropyl)phenol

C10H14O2S — CID 137432074

IUPAC2-methoxy-6-(2-sulfanylpropyl)phenol
SMILESCOc1cccc(CC(C)S)c1O
InChIInChI=1S/C10H14O2S/c1-7(13)6-8-4-3-5-9(12-2)10(8)11/h3-5,7,11,13H,6H2,1-2H3
InChIKeyXQMOBKVZCIWDGX-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.26
Rot. Bonds3

About 2-methoxy-6-(2-sulfanylpropyl)phenol

2-methoxy-6-(2-sulfanylpropyl)phenol (PubChem CID 137432074) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methoxy-6-(2-sulfanylpropyl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(2-sulfanylpropyl)phenol
PubChem CID137432074
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name2-methoxy-6-(2-sulfanylpropyl)phenol
SMILESCOc1cccc(CC(C)S)c1O
InChIInChI=1S/C10H14O2S/c1-7(13)6-8-4-3-5-9(12-2)10(8)11/h3-5,7,11,13H,6H2,1-2H3
InChIKeyXQMOBKVZCIWDGX-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-methoxy-6-[2-(methylamino)propyl]phenol
CID 68884486
2-methoxy-6-(2-methylpent-3-ynyl)phenol
CID 83930653
2-methoxy-6-(2-methylhex-3-ynyl)phenol
CID 83930654
2-methoxy-6-(phosphanylmethyl)phenol
CID 155024507
[3-(2-hydroxy-3-methoxyphenyl)-2-methylpropyl] thiocyanate
CID 112718399
2-(3-hydroxy-2-phenylsulfanylpropyl)-6-methoxyphenol
CID 14468411
ethane;2-methoxy-6-propylphenol
CID 142869062
3-(2-hydroxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83954988
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
2-(4-fluorophenyl)-3-(2-hydroxy-3-methoxyphenyl)propanoic acid
CID 82160886
2-[(2-hydroxy-3-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931889
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-sulfanylpropyl)phenol?
The IUPAC name of 2-methoxy-6-(2-sulfanylpropyl)phenol (CID 137432074) is 2-methoxy-6-(2-sulfanylpropyl)phenol.
What is the SMILES notation for 2-methoxy-6-(2-sulfanylpropyl)phenol?
The canonical SMILES for 2-methoxy-6-(2-sulfanylpropyl)phenol is COc1cccc(CC(C)S)c1O.
What is the InChIKey of 2-methoxy-6-(2-sulfanylpropyl)phenol?
The InChIKey is XQMOBKVZCIWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7(13)6-8-4-3-5-9(12-2)10(8)11/h3-5,7,11,13H,6H2,1-2H3.
What are the key properties of 2-methoxy-6-(2-sulfanylpropyl)phenol?
2-methoxy-6-(2-sulfanylpropyl)phenol has a molecular weight of 198.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-sulfanylpropyl)phenol is sourced from PubChem (CID 137432074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).