2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane

C19H22O2S — CID 75287979

IUPAC2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane
SMILESCC1OC(Sc2ccccc2)CCC1OCc1ccccc1
InChIInChI=1S/C19H22O2S/c1-15-18(20-14-16-8-4-2-5-9-16)12-13-19(21-15)22-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3
InChIKeyPSYIHBKEJZKSGL-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.89
Rot. Bonds5

About 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane

2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane (PubChem CID 75287979) has the molecular formula C19H22O2S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane.

Molecular Properties

Compound Name2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane
PubChem CID75287979
Molecular FormulaC19H22O2S
Molecular Weight314.45 g/mol
Exact Mass314.13
IUPAC Name2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane
SMILESCC1OC(Sc2ccccc2)CCC1OCc1ccccc1
InChIInChI=1S/C19H22O2S/c1-15-18(20-14-16-8-4-2-5-9-16)12-13-19(21-15)22-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3
InChIKeyPSYIHBKEJZKSGL-UHFFFAOYSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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US8815951, Epoxide Hydrolase Inhibitor 4
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P 293
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(2S,3R,4R,5S,6R)-3,4,5-tris(benzyloxy)-2-methyl-6-(p-tolylthio)tetrahydro-2H-pyran
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(Phenylthio)acetic acid, phenylmethyl ester
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane?
The IUPAC name of 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane (CID 75287979) is 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane.
What is the SMILES notation for 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane?
The canonical SMILES for 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane is CC1OC(Sc2ccccc2)CCC1OCc1ccccc1.
What is the InChIKey of 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane?
The InChIKey is PSYIHBKEJZKSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2S/c1-15-18(20-14-16-8-4-2-5-9-16)12-13-19(21-15)22-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3.
What are the key properties of 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane?
2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane has a molecular weight of 314.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenylmethoxy-6-phenylsulfanyloxane is sourced from PubChem (CID 75287979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).