[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol

C13H20O3S — CID 115659185

IUPAC[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol
SMILESCCSCCCOc1ccc(CO)cc1OC
InChIInChI=1S/C13H20O3S/c1-3-17-8-4-7-16-12-6-5-11(10-14)9-13(12)15-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyZPSOCEMGUPNDHZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.71
Rot. Bonds8

About [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol

[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol (PubChem CID 115659185) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol
PubChem CID115659185
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol
SMILESCCSCCCOc1ccc(CO)cc1OC
InChIInChI=1S/C13H20O3S/c1-3-17-8-4-7-16-12-6-5-11(10-14)9-13(12)15-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyZPSOCEMGUPNDHZ-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
[3-bromo-4-(3-ethylsulfanylpropoxy)-5-methoxyphenyl]methanol
CID 113473758
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[3-methoxy-4-(2-phenylethoxy)phenyl]methanol
CID 28562144
[4-(3-azidopropoxy)-3-methoxyphenyl]methanol
CID 107744213
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[4-(2-azidoethoxy)-3-methoxyphenyl]methanol
CID 20769149
N'-hydroxy-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanimidamide
CID 107743240

Frequently Asked Questions

What is the IUPAC name of [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol (CID 115659185) is [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol is CCSCCCOc1ccc(CO)cc1OC.
What is the InChIKey of [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol?
The InChIKey is ZPSOCEMGUPNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-3-17-8-4-7-16-12-6-5-11(10-14)9-13(12)15-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol?
[4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol has a molecular weight of 256.37 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethylsulfanylpropoxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 115659185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).