1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol

C8H18O3S — CID 63930065

IUPAC1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
SMILESCOCCCSCC(O)COC
InChIInChI=1S/C8H18O3S/c1-10-4-3-5-12-7-8(9)6-11-2/h8-9H,3-7H2,1-2H3
InChIKeyQCXXUEHVMUYNHQ-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.76
Rot. Bonds8

About 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol

1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol (PubChem CID 63930065) has the molecular formula C8H18O3S and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
PubChem CID63930065
Molecular FormulaC8H18O3S
Molecular Weight194.30 g/mol
Exact Mass194.10
IUPAC Name1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
SMILESCOCCCSCC(O)COC
InChIInChI=1S/C8H18O3S/c1-10-4-3-5-12-7-8(9)6-11-2/h8-9H,3-7H2,1-2H3
InChIKeyQCXXUEHVMUYNHQ-UHFFFAOYSA-N
XLogP0.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 107264118
1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol
CID 63855931
1-(3-methoxypropylsulfanyl)-3-(2-methylpropylamino)propan-2-ol
CID 115476409
1-methoxy-3-(2-methylpropylsulfanyl)propan-2-ol
CID 63928593
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
1-butoxy-3-pentylsulfanylpropan-2-ol
CID 107266532
1-octoxy-3-octylsulfanylpropan-2-ol
CID 21423987
3-[2-(2-methoxyethoxy)ethylsulfanyl]propane-1,2-diol
CID 79682128
methyl 3-[2-hydroxy-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]sulfanylpropanoate
CID 157247547
4-(3-methoxypropylsulfanyl)-3-(methylamino)butan-1-ol
CID 64928738
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol (CID 63930065) is 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol is COCCCSCC(O)COC.
What is the InChIKey of 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
The InChIKey is QCXXUEHVMUYNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S/c1-10-4-3-5-12-7-8(9)6-11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol has a molecular weight of 194.30 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol is sourced from PubChem (CID 63930065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).