1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol

C13H18O2S — CID 10082933

IUPAC1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol
SMILESOC(CCSc1ccccc1)C1CCCO1
InChIInChI=1S/C13H18O2S/c14-12(13-7-4-9-15-13)8-10-16-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2
InChIKeyUQUPYDUSMQZAQR-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.71
Rot. Bonds5

About 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol

1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol (PubChem CID 10082933) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol
PubChem CID10082933
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol
SMILESOC(CCSc1ccccc1)C1CCCO1
InChIInChI=1S/C13H18O2S/c14-12(13-7-4-9-15-13)8-10-16-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2
InChIKeyUQUPYDUSMQZAQR-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Phenyl beta-D-thiogalactopyranoside
CID 314404
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977
(2S,3S,4S,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479994
1-(Phenylsulfanyl)-2-octanol
CID 11276474
1-(Phenylsulfanyl)-3-[(propan-2-yl)oxy]propan-2-ol
CID 60670968
1-Ethoxy-3-phenylsulfanylpropan-2-ol
CID 2953136
Phenyl 1-thio-beta-D-xylopyranoside
CID 10466912
Phenyl 1-thio-beta-D-glucopyranoside
CID 10934592

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol?
The IUPAC name of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol (CID 10082933) is 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol?
The canonical SMILES for 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol is OC(CCSc1ccccc1)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol?
The InChIKey is UQUPYDUSMQZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c14-12(13-7-4-9-15-13)8-10-16-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2.
What are the key properties of 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol?
1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-phenylsulfanylpropan-1-ol is sourced from PubChem (CID 10082933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).