3-(phenylmethoxymethylsulfanyl)phenol

C14H14O2S — CID 102940288

IUPAC3-(phenylmethoxymethylsulfanyl)phenol
SMILESOc1cccc(SCOCc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c15-13-7-4-8-14(9-13)17-11-16-10-12-5-2-1-3-6-12/h1-9,15H,10-11H2
InChIKeyTXIFMXCRRSTARS-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.66
Rot. Bonds5

About 3-(phenylmethoxymethylsulfanyl)phenol

3-(phenylmethoxymethylsulfanyl)phenol (PubChem CID 102940288) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(phenylmethoxymethylsulfanyl)phenol.

Molecular Properties

Compound Name3-(phenylmethoxymethylsulfanyl)phenol
PubChem CID102940288
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name3-(phenylmethoxymethylsulfanyl)phenol
SMILESOc1cccc(SCOCc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c15-13-7-4-8-14(9-13)17-11-16-10-12-5-2-1-3-6-12/h1-9,15H,10-11H2
InChIKeyTXIFMXCRRSTARS-UHFFFAOYSA-N
XLogP3.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[3-(phenylmethoxymethylsulfanyl)phenyl]ethanol
CID 102940806
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
3-(cyclopropylmethoxymethylsulfanyl)phenol
CID 106930422
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
3-[(1-phenylpyrazol-3-yl)methylsulfanyl]phenol
CID 104590475
3-(3-ethoxypropylsulfanyl)phenol
CID 104590102
(2R,3R)-1-phenylmethoxy-4-phenylsulfanylbutane-2,3-diol
CID 11130512
butane;phenol;phenylmethoxymethylbenzene
CID 174556357
3-(3-hydroxypropylsulfanyl)phenol
CID 70270540
naphthalen-2-ol;phenylmethoxymethylbenzene
CID 18786875
CID 66734377
CID 66734377
3-(2-hydroxypropylsulfanyl)phenol
CID 104590031

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxymethylsulfanyl)phenol?
The IUPAC name of 3-(phenylmethoxymethylsulfanyl)phenol (CID 102940288) is 3-(phenylmethoxymethylsulfanyl)phenol.
What is the SMILES notation for 3-(phenylmethoxymethylsulfanyl)phenol?
The canonical SMILES for 3-(phenylmethoxymethylsulfanyl)phenol is Oc1cccc(SCOCc2ccccc2)c1.
What is the InChIKey of 3-(phenylmethoxymethylsulfanyl)phenol?
The InChIKey is TXIFMXCRRSTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c15-13-7-4-8-14(9-13)17-11-16-10-12-5-2-1-3-6-12/h1-9,15H,10-11H2.
What are the key properties of 3-(phenylmethoxymethylsulfanyl)phenol?
3-(phenylmethoxymethylsulfanyl)phenol has a molecular weight of 246.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxymethylsulfanyl)phenol is sourced from PubChem (CID 102940288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).