2-(4-phenylphenyl)sulfanylethanol

C14H14OS — CID 116852645

IUPAC2-(4-phenylphenyl)sulfanylethanol
SMILESOCCSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14OS/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyZPNKUBBSUHCXRG-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-phenylphenyl)sulfanylethanol

2-(4-phenylphenyl)sulfanylethanol (PubChem CID 116852645) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-(4-phenylphenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-phenylphenyl)sulfanylethanol
PubChem CID116852645
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name2-(4-phenylphenyl)sulfanylethanol
SMILESOCCSc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C14H14OS/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKeyZPNKUBBSUHCXRG-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)sulfanylethanol?
The IUPAC name of 2-(4-phenylphenyl)sulfanylethanol (CID 116852645) is 2-(4-phenylphenyl)sulfanylethanol.
What is the SMILES notation for 2-(4-phenylphenyl)sulfanylethanol?
The canonical SMILES for 2-(4-phenylphenyl)sulfanylethanol is OCCSc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)sulfanylethanol?
The InChIKey is ZPNKUBBSUHCXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15H,10-11H2.
What are the key properties of 2-(4-phenylphenyl)sulfanylethanol?
2-(4-phenylphenyl)sulfanylethanol has a molecular weight of 230.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)sulfanylethanol is sourced from PubChem (CID 116852645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).