1-phenyl-2-phenylsulfanylpropan-1-ol

C15H16OS — CID 13448924

IUPAC1-phenyl-2-phenylsulfanylpropan-1-ol
SMILESCC(Sc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H16OS/c1-12(17-14-10-6-3-7-11-14)15(16)13-8-4-2-5-9-13/h2-12,15-16H,1H3
InChIKeyQRPMQHDSLPUMDN-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.90
Rot. Bonds4

About 1-phenyl-2-phenylsulfanylpropan-1-ol

1-phenyl-2-phenylsulfanylpropan-1-ol (PubChem CID 13448924) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-phenyl-2-phenylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-phenylsulfanylpropan-1-ol
PubChem CID13448924
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-phenyl-2-phenylsulfanylpropan-1-ol
SMILESCC(Sc1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C15H16OS/c1-12(17-14-10-6-3-7-11-14)15(16)13-8-4-2-5-9-13/h2-12,15-16H,1H3
InChIKeyQRPMQHDSLPUMDN-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-phenylsulfanylpropan-1-ol?
The IUPAC name of 1-phenyl-2-phenylsulfanylpropan-1-ol (CID 13448924) is 1-phenyl-2-phenylsulfanylpropan-1-ol.
What is the SMILES notation for 1-phenyl-2-phenylsulfanylpropan-1-ol?
The canonical SMILES for 1-phenyl-2-phenylsulfanylpropan-1-ol is CC(Sc1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-phenylsulfanylpropan-1-ol?
The InChIKey is QRPMQHDSLPUMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-12(17-14-10-6-3-7-11-14)15(16)13-8-4-2-5-9-13/h2-12,15-16H,1H3.
What are the key properties of 1-phenyl-2-phenylsulfanylpropan-1-ol?
1-phenyl-2-phenylsulfanylpropan-1-ol has a molecular weight of 244.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-phenylsulfanylpropan-1-ol is sourced from PubChem (CID 13448924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).