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

C11H24O3S — CID 107264118

IUPAC1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
SMILESCCCCOCC(O)CSCCCOC
InChIInChI=1S/C11H24O3S/c1-3-4-7-14-9-11(12)10-15-8-5-6-13-2/h11-12H,3-10H2,1-2H3
InChIKeyWFDGBJATVFRZMJ-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.93
Rot. Bonds11

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

1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol (PubChem CID 107264118) has the molecular formula C11H24O3S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
PubChem CID107264118
Molecular FormulaC11H24O3S
Molecular Weight236.38 g/mol
Exact Mass236.14
IUPAC Name1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
SMILESCCCCOCC(O)CSCCCOC
InChIInChI=1S/C11H24O3S/c1-3-4-7-14-9-11(12)10-15-8-5-6-13-2/h11-12H,3-10H2,1-2H3
InChIKeyWFDGBJATVFRZMJ-UHFFFAOYSA-N
XLogP1.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butoxy-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-butoxy-3-pentylsulfanylpropan-2-ol
CID 107266532
1-methoxy-3-(3-methoxypropylsulfanyl)propan-2-ol
CID 63930065
1-octoxy-3-octylsulfanylpropan-2-ol
CID 21423987
1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
1-decoxy-3-(3-decoxy-2-hydroxypropyl)sulfanylpropan-2-ol
CID 22141570
1-(2-hydroxyethylsulfanyl)-3-octadecoxypropan-2-ol
CID 19901104
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-(2-aminopropylsulfanyl)-3-butoxypropan-2-ol
CID 107263348
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-butoxy-3-(cyclopentylmethylsulfanyl)propan-2-ol
CID 107264112
1-(3-methoxypropylsulfanyl)-3-(methylamino)propan-2-ol
CID 63855931
(2R)-1-butoxybutan-2-ol
CID 27255938

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol (CID 107264118) is 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol is CCCCOCC(O)CSCCCOC.
What is the InChIKey of 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
The InChIKey is WFDGBJATVFRZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3S/c1-3-4-7-14-9-11(12)10-15-8-5-6-13-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol?
1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol has a molecular weight of 236.38 g/mol, XLogP of 1.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(3-methoxypropylsulfanyl)propan-2-ol is sourced from PubChem (CID 107264118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).