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

C13H20O2S — CID 117353827

IUPAC2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
SMILESCCc1cc(OC)c(C(C)CO)cc1SC
InChIInChI=1S/C13H20O2S/c1-5-10-6-12(15-3)11(9(2)8-14)7-13(10)16-4/h6-7,9,14H,5,8H2,1-4H3
InChIKeySUOXJABFVXOQCT-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.08
Rot. Bonds5

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

2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol (PubChem CID 117353827) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
PubChem CID117353827
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
SMILESCCc1cc(OC)c(C(C)CO)cc1SC
InChIInChI=1S/C13H20O2S/c1-5-10-6-12(15-3)11(9(2)8-14)7-13(10)16-4/h6-7,9,14H,5,8H2,1-4H3
InChIKeySUOXJABFVXOQCT-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)butanal
CID 117384480
2-(5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117322308
3-amino-2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propanoic acid
CID 117426862
3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol
CID 117353833
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)ethanamine
CID 15915366
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117353545
[2-fluoro-4-[(2R)-1-hydroxypropan-2-yl]-5-methoxyphenyl]boronic acid
CID 123951308
2-[4-(dimethylamino)-2,5-dimethoxyphenyl]propan-1-ol
CID 117351358
1-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)propan-2-amine;hydrochloride
CID 15915348
3-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)-3-methylbutanoic acid
CID 117453988
2-(2-methoxy-4-methylphenyl)propan-1-ol
CID 14432753

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The IUPAC name of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol (CID 117353827) is 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol.
What is the SMILES notation for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The canonical SMILES for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol is CCc1cc(OC)c(C(C)CO)cc1SC.
What is the InChIKey of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
The InChIKey is SUOXJABFVXOQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-5-10-6-12(15-3)11(9(2)8-14)7-13(10)16-4/h6-7,9,14H,5,8H2,1-4H3.
What are the key properties of 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol?
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)propan-1-ol is sourced from PubChem (CID 117353827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).