phenylmethoxymethylsulfanylbenzene

C14H14OS — CID 10966494

IUPACphenylmethoxymethylsulfanylbenzene
SMILESc1ccc(COCSc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYFHQMKKMAZYELL-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.95
Rot. Bonds5

About phenylmethoxymethylsulfanylbenzene

phenylmethoxymethylsulfanylbenzene (PubChem CID 10966494) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is phenylmethoxymethylsulfanylbenzene.

Molecular Properties

Compound Namephenylmethoxymethylsulfanylbenzene
PubChem CID10966494
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Namephenylmethoxymethylsulfanylbenzene
SMILESc1ccc(COCSc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYFHQMKKMAZYELL-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of phenylmethoxymethylsulfanylbenzene?
The IUPAC name of phenylmethoxymethylsulfanylbenzene (CID 10966494) is phenylmethoxymethylsulfanylbenzene.
What is the SMILES notation for phenylmethoxymethylsulfanylbenzene?
The canonical SMILES for phenylmethoxymethylsulfanylbenzene is c1ccc(COCSc2ccccc2)cc1.
What is the InChIKey of phenylmethoxymethylsulfanylbenzene?
The InChIKey is YFHQMKKMAZYELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-3-7-13(8-4-1)11-15-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of phenylmethoxymethylsulfanylbenzene?
phenylmethoxymethylsulfanylbenzene has a molecular weight of 230.33 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxymethylsulfanylbenzene is sourced from PubChem (CID 10966494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).