2,3-bis(phenylmethoxy)propylsulfanylbenzene

C23H24O2S — CID 4573537

IUPAC2,3-bis(phenylmethoxy)propylsulfanylbenzene
SMILESc1ccc(COCC(CSc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H24O2S/c1-4-10-20(11-5-1)16-24-18-22(19-26-23-14-8-3-9-15-23)25-17-21-12-6-2-7-13-21/h1-15,22H,16-19H2
InChIKeyIYQJODSKYMOPGT-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.58
Rot. Bonds10

About 2,3-bis(phenylmethoxy)propylsulfanylbenzene

2,3-bis(phenylmethoxy)propylsulfanylbenzene (PubChem CID 4573537) has the molecular formula C23H24O2S and a molecular weight of 364.51 g/mol. Its IUPAC name is 2,3-bis(phenylmethoxy)propylsulfanylbenzene.

Molecular Properties

Compound Name2,3-bis(phenylmethoxy)propylsulfanylbenzene
PubChem CID4573537
Molecular FormulaC23H24O2S
Molecular Weight364.51 g/mol
Exact Mass364.15
IUPAC Name2,3-bis(phenylmethoxy)propylsulfanylbenzene
SMILESc1ccc(COCC(CSc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H24O2S/c1-4-10-20(11-5-1)16-24-18-22(19-26-23-14-8-3-9-15-23)25-17-21-12-6-2-7-13-21/h1-15,22H,16-19H2
InChIKeyIYQJODSKYMOPGT-UHFFFAOYSA-N
XLogP5.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(phenylmethoxy)propylsulfanylbenzene?
The IUPAC name of 2,3-bis(phenylmethoxy)propylsulfanylbenzene (CID 4573537) is 2,3-bis(phenylmethoxy)propylsulfanylbenzene.
What is the SMILES notation for 2,3-bis(phenylmethoxy)propylsulfanylbenzene?
The canonical SMILES for 2,3-bis(phenylmethoxy)propylsulfanylbenzene is c1ccc(COCC(CSc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of 2,3-bis(phenylmethoxy)propylsulfanylbenzene?
The InChIKey is IYQJODSKYMOPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2S/c1-4-10-20(11-5-1)16-24-18-22(19-26-23-14-8-3-9-15-23)25-17-21-12-6-2-7-13-21/h1-15,22H,16-19H2.
What are the key properties of 2,3-bis(phenylmethoxy)propylsulfanylbenzene?
2,3-bis(phenylmethoxy)propylsulfanylbenzene has a molecular weight of 364.51 g/mol, XLogP of 5.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(phenylmethoxy)propylsulfanylbenzene is sourced from PubChem (CID 4573537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).