3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol

C18H22OS — CID 14915891

IUPAC3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol
SMILESOCCCSC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22OS/c19-12-7-13-20-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKeySGQXYBVCMHBBON-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.96
Rot. Bonds8

About 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol

3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol (PubChem CID 14915891) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol
PubChem CID14915891
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol
SMILESOCCCSC(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22OS/c19-12-7-13-20-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKeySGQXYBVCMHBBON-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-phenylsulfanylpropan-1-ol
CID 14744646
2-amino-3-phenylpropan-1-ol;butan-1-ol
CID 174635361
(3S)-3-benzylheptan-1-ol
CID 15214037
2-(5-fluoropentylsulfanyl)-3-phenylpropanoic acid
CID 114280185
(3S,4R)-5-phenylpentane-1,3,4-triol
CID 118708003
3-benzylpentadecan-1-ol
CID 174933241
3-benzylheptadecan-1-ol
CID 70425860
3-[(1-amino-3-phenylpropan-2-yl)amino]propan-1-ol
CID 65378024
3-[1-(ethylamino)-1-phenylbutan-2-yl]sulfanylpropan-1-ol
CID 66127944
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
CID 3035673
(2R)-3-[(S)-benzylsulfinyl]-2-butylsulfanylpropan-1-ol
CID 95989453

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol (CID 14915891) is 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol is OCCCSC(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol?
The InChIKey is SGQXYBVCMHBBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c19-12-7-13-20-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2.
What are the key properties of 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol?
3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol has a molecular weight of 286.44 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diphenylpropan-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 14915891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).