(2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol

C18H20OS — CID 12072424

IUPAC(2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol
SMILESC[C@H](O)CS/C(=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20OS/c1-15(19)14-20-18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-12,15,19H,13-14H2,1H3/b18-12+/t15-/m0/s1
InChIKeyDCGYPZUYJAAARR-BRFSQIRFSA-N
MW284.42 g/mol
LogP4.38
Rot. Bonds6

About (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol

(2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol (PubChem CID 12072424) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol
PubChem CID12072424
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name(2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol
SMILESC[C@H](O)CS/C(=C/c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20OS/c1-15(19)14-20-18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-12,15,19H,13-14H2,1H3/b18-12+/t15-/m0/s1
InChIKeyDCGYPZUYJAAARR-BRFSQIRFSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methyl-2,6-diphenylthian-4-ol
CID 4455365
3-(Benzylsulfanyl)propan-1-ol
CID 346012
4,4'-Bis(2-hydroxyethylthio)biphenyl
CID 2192654
Bis(2-phenylethyl) sulfide
CID 12548239

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol?
The IUPAC name of (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol (CID 12072424) is (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol is C[C@H](O)CS/C(=C/c1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol?
The InChIKey is DCGYPZUYJAAARR-BRFSQIRFSA-N. The full InChI is InChI=1S/C18H20OS/c1-15(19)14-20-18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-12,15,19H,13-14H2,1H3/b18-12+/t15-/m0/s1.
What are the key properties of (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol?
(2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol has a molecular weight of 284.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(E)-1,3-diphenylprop-1-en-2-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 12072424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).