phenylmethoxysulfanyloxymethylbenzene

C14H14O2S — CID 10634174

IUPACphenylmethoxysulfanyloxymethylbenzene
SMILESc1ccc(COSOCc2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-3-7-13(8-4-1)11-15-17-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyBIHFSIVKNBQRAR-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.98
Rot. Bonds6

About phenylmethoxysulfanyloxymethylbenzene

phenylmethoxysulfanyloxymethylbenzene (PubChem CID 10634174) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is phenylmethoxysulfanyloxymethylbenzene.

Molecular Properties

Compound Namephenylmethoxysulfanyloxymethylbenzene
PubChem CID10634174
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Namephenylmethoxysulfanyloxymethylbenzene
SMILESc1ccc(COSOCc2ccccc2)cc1
InChIInChI=1S/C14H14O2S/c1-3-7-13(8-4-1)11-15-17-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyBIHFSIVKNBQRAR-UHFFFAOYSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 66734377
CID 66734377
CID 68630458
CID 68630458
phenylmethoxy-λ2-plumbane
CID 173082625
phenylmethoxygallane
CID 173378988
ethane;phenylmethoxymethylbenzene
CID 90943549
phenylmethoxyalumane
CID 153167769
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
methyl(phenylmethoxysulfanyl)carbamic acid
CID 88739044
methoxymethylbenzene;vanadium
CID 167445376
methoxymethylbenzene;silane
CID 174277199
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of phenylmethoxysulfanyloxymethylbenzene?
The IUPAC name of phenylmethoxysulfanyloxymethylbenzene (CID 10634174) is phenylmethoxysulfanyloxymethylbenzene.
What is the SMILES notation for phenylmethoxysulfanyloxymethylbenzene?
The canonical SMILES for phenylmethoxysulfanyloxymethylbenzene is c1ccc(COSOCc2ccccc2)cc1.
What is the InChIKey of phenylmethoxysulfanyloxymethylbenzene?
The InChIKey is BIHFSIVKNBQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-3-7-13(8-4-1)11-15-17-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of phenylmethoxysulfanyloxymethylbenzene?
phenylmethoxysulfanyloxymethylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxysulfanyloxymethylbenzene is sourced from PubChem (CID 10634174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).