4-[2-(ethoxymethoxy)ethylsulfanyl]phenol

C11H16O3S — CID 22288048

IUPAC4-[2-(ethoxymethoxy)ethylsulfanyl]phenol
SMILESCCOCOCCSc1ccc(O)cc1
InChIInChI=1S/C11H16O3S/c1-2-13-9-14-7-8-15-11-5-3-10(12)4-6-11/h3-6,12H,2,7-9H2,1H3
InChIKeyQVCPYLHXFNQALA-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.49
Rot. Bonds7

About 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol

4-[2-(ethoxymethoxy)ethylsulfanyl]phenol (PubChem CID 22288048) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol.

Molecular Properties

Compound Name4-[2-(ethoxymethoxy)ethylsulfanyl]phenol
PubChem CID22288048
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name4-[2-(ethoxymethoxy)ethylsulfanyl]phenol
SMILESCCOCOCCSc1ccc(O)cc1
InChIInChI=1S/C11H16O3S/c1-2-13-9-14-7-8-15-11-5-3-10(12)4-6-11/h3-6,12H,2,7-9H2,1H3
InChIKeyQVCPYLHXFNQALA-UHFFFAOYSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-propylsulfanylphenyl)phenol
CID 70387608
4-(3-ethylsulfanylpropylsulfanyl)phenol
CID 115649843
4-[2-(dimethylamino)ethylsulfanyl]phenol
CID 15222062
1-(2-ethoxyethylsulfanyl)-4-nitrobenzene
CID 57275569
4-(4-pentylsulfanylphenyl)phenol
CID 70386917
2-(4-hydroxyphenyl)sulfanylethyl 2-methylprop-2-enoate
CID 57001290
4-[(4-hydroxyphenyl)sulfanylmethylsulfanyl]phenol
CID 14794071
4-(1-ethoxybutan-2-yl)phenol
CID 89112859
4-(3,3-difluorobutylsulfanyl)phenol
CID 84683808
4-[3-[hydroxy(methyl)amino]propylsulfanyl]phenol
CID 170958236
3-(4-hydroxyphenyl)sulfanylpropanal
CID 20780827
4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol?
The IUPAC name of 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol (CID 22288048) is 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol.
What is the SMILES notation for 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol?
The canonical SMILES for 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol is CCOCOCCSc1ccc(O)cc1.
What is the InChIKey of 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol?
The InChIKey is QVCPYLHXFNQALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-2-13-9-14-7-8-15-11-5-3-10(12)4-6-11/h3-6,12H,2,7-9H2,1H3.
What are the key properties of 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol?
4-[2-(ethoxymethoxy)ethylsulfanyl]phenol has a molecular weight of 228.31 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxymethoxy)ethylsulfanyl]phenol is sourced from PubChem (CID 22288048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).