(2-ethoxy-2-phenylethyl)sulfanylbenzene

C16H18OS — CID 13207462

IUPAC(2-ethoxy-2-phenylethyl)sulfanylbenzene
SMILESCCOC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OS/c1-2-17-16(14-9-5-3-6-10-14)13-18-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyVMRNXFSTUHWUGJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.56
Rot. Bonds6

About (2-ethoxy-2-phenylethyl)sulfanylbenzene

(2-ethoxy-2-phenylethyl)sulfanylbenzene (PubChem CID 13207462) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (2-ethoxy-2-phenylethyl)sulfanylbenzene.

Molecular Properties

Compound Name(2-ethoxy-2-phenylethyl)sulfanylbenzene
PubChem CID13207462
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(2-ethoxy-2-phenylethyl)sulfanylbenzene
SMILESCCOC(CSc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18OS/c1-2-17-16(14-9-5-3-6-10-14)13-18-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyVMRNXFSTUHWUGJ-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-phenylethyl)sulfanylbenzene?
The IUPAC name of (2-ethoxy-2-phenylethyl)sulfanylbenzene (CID 13207462) is (2-ethoxy-2-phenylethyl)sulfanylbenzene.
What is the SMILES notation for (2-ethoxy-2-phenylethyl)sulfanylbenzene?
The canonical SMILES for (2-ethoxy-2-phenylethyl)sulfanylbenzene is CCOC(CSc1ccccc1)c1ccccc1.
What is the InChIKey of (2-ethoxy-2-phenylethyl)sulfanylbenzene?
The InChIKey is VMRNXFSTUHWUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-2-17-16(14-9-5-3-6-10-14)13-18-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of (2-ethoxy-2-phenylethyl)sulfanylbenzene?
(2-ethoxy-2-phenylethyl)sulfanylbenzene has a molecular weight of 258.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-phenylethyl)sulfanylbenzene is sourced from PubChem (CID 13207462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).