2-[(2-benzylsulfanylphenyl)methyl]oxolane

C18H20OS — CID 57273406

IUPAC2-[(2-benzylsulfanylphenyl)methyl]oxolane
SMILESc1ccc(CSc2ccccc2CC2CCCO2)cc1
InChIInChI=1S/C18H20OS/c1-2-7-15(8-3-1)14-20-18-11-5-4-9-16(18)13-17-10-6-12-19-17/h1-5,7-9,11,17H,6,10,12-14H2
InChIKeyBEXDDJXZJDFCAL-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.70
Rot. Bonds5

About 2-[(2-benzylsulfanylphenyl)methyl]oxolane

2-[(2-benzylsulfanylphenyl)methyl]oxolane (PubChem CID 57273406) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[(2-benzylsulfanylphenyl)methyl]oxolane.

Molecular Properties

Compound Name2-[(2-benzylsulfanylphenyl)methyl]oxolane
PubChem CID57273406
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name2-[(2-benzylsulfanylphenyl)methyl]oxolane
SMILESc1ccc(CSc2ccccc2CC2CCCO2)cc1
InChIInChI=1S/C18H20OS/c1-2-7-15(8-3-1)14-20-18-11-5-4-9-16(18)13-17-10-6-12-19-17/h1-5,7-9,11,17H,6,10,12-14H2
InChIKeyBEXDDJXZJDFCAL-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzylsulfanylphenyl)methyl]oxolane?
The IUPAC name of 2-[(2-benzylsulfanylphenyl)methyl]oxolane (CID 57273406) is 2-[(2-benzylsulfanylphenyl)methyl]oxolane.
What is the SMILES notation for 2-[(2-benzylsulfanylphenyl)methyl]oxolane?
The canonical SMILES for 2-[(2-benzylsulfanylphenyl)methyl]oxolane is c1ccc(CSc2ccccc2CC2CCCO2)cc1.
What is the InChIKey of 2-[(2-benzylsulfanylphenyl)methyl]oxolane?
The InChIKey is BEXDDJXZJDFCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-2-7-15(8-3-1)14-20-18-11-5-4-9-16(18)13-17-10-6-12-19-17/h1-5,7-9,11,17H,6,10,12-14H2.
What are the key properties of 2-[(2-benzylsulfanylphenyl)methyl]oxolane?
2-[(2-benzylsulfanylphenyl)methyl]oxolane has a molecular weight of 284.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzylsulfanylphenyl)methyl]oxolane is sourced from PubChem (CID 57273406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).