3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol

C13H20O2S — CID 116504533

IUPAC3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCCSCCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20O2S/c1-4-16-8-7-13(14)12-6-5-11(15-3)9-10(12)2/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyUPYMVCOEWAHAIJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.18
Rot. Bonds6

About 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol

3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol (PubChem CID 116504533) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
PubChem CID116504533
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCCSCCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C13H20O2S/c1-4-16-8-7-13(14)12-6-5-11(15-3)9-10(12)2/h5-6,9,13-14H,4,7-8H2,1-3H3
InChIKeyUPYMVCOEWAHAIJ-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
1-(4-methoxy-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074465
3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 61101293
3-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105082960
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
1-(4-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-1-ol
CID 116504660
[1-(4-methoxy-2-methylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225877
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol (CID 116504533) is 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol is CCSCCC(O)c1ccc(OC)cc1C.
What is the InChIKey of 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The InChIKey is UPYMVCOEWAHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-4-16-8-7-13(14)12-6-5-11(15-3)9-10(12)2/h5-6,9,13-14H,4,7-8H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol?
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 116504533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).