1-benzylsulfanyl-3-phenylmethoxypropan-2-ol

C17H20O2S — CID 14948166

IUPAC1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CSCc1ccccc1
InChIInChI=1S/C17H20O2S/c18-17(12-19-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyZSRBEEZDDNRUSB-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.50
Rot. Bonds8

About 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol

1-benzylsulfanyl-3-phenylmethoxypropan-2-ol (PubChem CID 14948166) has the molecular formula C17H20O2S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
PubChem CID14948166
Molecular FormulaC17H20O2S
Molecular Weight288.41 g/mol
Exact Mass288.12
IUPAC Name1-benzylsulfanyl-3-phenylmethoxypropan-2-ol
SMILESOC(COCc1ccccc1)CSCc1ccccc1
InChIInChI=1S/C17H20O2S/c18-17(12-19-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyZSRBEEZDDNRUSB-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 172760983
CID 172760983
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(2S)-1,4-bis(phenylmethoxy)butan-2-ol
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3-(2-phenylmethoxyethylsulfanyl)propane-1,2-diol
CID 130537045
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
1-phenylmethoxy-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 60670624
lithium (2S)-1-phenylmethoxypent-4-yn-2-ol
CID 134893563

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol (CID 14948166) is 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol is OC(COCc1ccccc1)CSCc1ccccc1.
What is the InChIKey of 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol?
The InChIKey is ZSRBEEZDDNRUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S/c18-17(12-19-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol?
1-benzylsulfanyl-3-phenylmethoxypropan-2-ol has a molecular weight of 288.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 14948166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).