5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol

C15H24O2S — CID 113474719

IUPAC5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol
SMILESCCSCCCC(CO)Cc1cccc(OC)c1
InChIInChI=1S/C15H24O2S/c1-3-18-9-5-7-14(12-16)10-13-6-4-8-15(11-13)17-2/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3
InChIKeyMLTZVDADKSYPOA-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.38
Rot. Bonds9

About 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol

5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol (PubChem CID 113474719) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol.

Molecular Properties

Compound Name5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol
PubChem CID113474719
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol
SMILESCCSCCCC(CO)Cc1cccc(OC)c1
InChIInChI=1S/C15H24O2S/c1-3-18-9-5-7-14(12-16)10-13-6-4-8-15(11-13)17-2/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3
InChIKeyMLTZVDADKSYPOA-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.38
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

2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)propan-1-ol
CID 66058670
1-[2-(bromomethyl)-5-methoxypentyl]-3-methoxybenzene
CID 66041333
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
2-[(2,4-difluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66059508
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
2-[(3-methoxyphenyl)methyl]-3-(1,3-thiazol-4-yl)propan-1-ol
CID 66059930
1-methoxy-3-(2-methoxyhexyl)benzene
CID 122208727
2-[(3-methoxyphenoxy)methyl]pentan-1-ol
CID 117241933

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol?
The IUPAC name of 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol (CID 113474719) is 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol.
What is the SMILES notation for 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol?
The canonical SMILES for 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol is CCSCCCC(CO)Cc1cccc(OC)c1.
What is the InChIKey of 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol?
The InChIKey is MLTZVDADKSYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-3-18-9-5-7-14(12-16)10-13-6-4-8-15(11-13)17-2/h4,6,8,11,14,16H,3,5,7,9-10,12H2,1-2H3.
What are the key properties of 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol?
5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol has a molecular weight of 268.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfanyl-2-[(3-methoxyphenyl)methyl]pentan-1-ol is sourced from PubChem (CID 113474719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).