2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol

C18H22O2S — CID 56989386

IUPAC2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol
SMILESCC(CO)c1cccc(C(C)CO)c1Sc1ccccc1
InChIInChI=1S/C18H22O2S/c1-13(11-19)16-9-6-10-17(14(2)12-20)18(16)21-15-7-4-3-5-8-15/h3-10,13-14,19-20H,11-12H2,1-2H3
InChIKeyWNRCCZQNBYPMGN-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.03
Rot. Bonds6

About 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol

2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol (PubChem CID 56989386) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol
PubChem CID56989386
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol
SMILESCC(CO)c1cccc(C(C)CO)c1Sc1ccccc1
InChIInChI=1S/C18H22O2S/c1-13(11-19)16-9-6-10-17(14(2)12-20)18(16)21-15-7-4-3-5-8-15/h3-10,13-14,19-20H,11-12H2,1-2H3
InChIKeyWNRCCZQNBYPMGN-UHFFFAOYSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol?
The IUPAC name of 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol (CID 56989386) is 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol.
What is the SMILES notation for 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol?
The canonical SMILES for 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol is CC(CO)c1cccc(C(C)CO)c1Sc1ccccc1.
What is the InChIKey of 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol?
The InChIKey is WNRCCZQNBYPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-13(11-19)16-9-6-10-17(14(2)12-20)18(16)21-15-7-4-3-5-8-15/h3-10,13-14,19-20H,11-12H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol?
2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol has a molecular weight of 302.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxypropan-2-yl)-2-phenylsulfanylphenyl]propan-1-ol is sourced from PubChem (CID 56989386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).