3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol

C13H20O2S — CID 117353833

IUPAC3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
SMILESCCc1cc(OC)c(CCCO)cc1SC
InChIInChI=1S/C13H20O2S/c1-4-10-8-12(15-2)11(6-5-7-14)9-13(10)16-3/h8-9,14H,4-7H2,1-3H3
InChIKeyMAJHWHTWLBLFPI-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.90
Rot. Bonds6

About 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol

3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol (PubChem CID 117353833) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
PubChem CID117353833
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
SMILESCCc1cc(OC)c(CCCO)cc1SC
InChIInChI=1S/C13H20O2S/c1-4-10-8-12(15-2)11(6-5-7-14)9-13(10)16-3/h8-9,14H,4-7H2,1-3H3
InChIKeyMAJHWHTWLBLFPI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
3-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 117303114
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353827
2-fluoro-5-(3-hydroxypropyl)-4-methoxyphenol
CID 117289231
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 15915348
4-[(4-ethyl-2-methoxy-5-methylsulfanylphenyl)methyl]piperidine
CID 117448534
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)-3-methylbutanoic acid
CID 117453988
3-amino-2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propanoic acid
CID 117426862
3-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-ol
CID 117311078
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol (CID 117353833) is 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol is CCc1cc(OC)c(CCCO)cc1SC.
What is the InChIKey of 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The InChIKey is MAJHWHTWLBLFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-4-10-8-12(15-2)11(6-5-7-14)9-13(10)16-3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 117353833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).