1-ethylsulfanyl-3-phenylpropan-2-ol

C11H16OS — CID 15526612

IUPAC1-ethylsulfanyl-3-phenylpropan-2-ol
SMILESCCSCC(O)Cc1ccccc1
InChIInChI=1S/C11H16OS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyFRDSPVFUEKBLOT-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.34
Rot. Bonds5

About 1-ethylsulfanyl-3-phenylpropan-2-ol

1-ethylsulfanyl-3-phenylpropan-2-ol (PubChem CID 15526612) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-phenylpropan-2-ol
PubChem CID15526612
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-ethylsulfanyl-3-phenylpropan-2-ol
SMILESCCSCC(O)Cc1ccccc1
InChIInChI=1S/C11H16OS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
InChIKeyFRDSPVFUEKBLOT-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-(2-Methylpropyl)benzeneethanol
CID 62661
4-Phenyl-2-butanol
CID 61302
1-Phenyl-2-pentanol
CID 61202
1-Phenyl-2-propanol
CID 94185
1-Phenyl-2-butanol
CID 92833
1-Phenyl-2-propanol, (-)-
CID 5324631
3-Methyl-1-phenylbutan-2-ol
CID 98019
4-Phenyl-2-butanol, (2R)-
CID 641354
(2R)-1-phenylbutan-2-ol
CID 7003733
4-Phenyl-2-butanol, (2S)-
CID 6994425
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
3,3-Dimethyl-1-phenylbutan-2-ol
CID 5051506

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-phenylpropan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-phenylpropan-2-ol (CID 15526612) is 1-ethylsulfanyl-3-phenylpropan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-phenylpropan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-phenylpropan-2-ol is CCSCC(O)Cc1ccccc1.
What is the InChIKey of 1-ethylsulfanyl-3-phenylpropan-2-ol?
The InChIKey is FRDSPVFUEKBLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-2-13-9-11(12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-phenylpropan-2-ol?
1-ethylsulfanyl-3-phenylpropan-2-ol has a molecular weight of 196.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-phenylpropan-2-ol is sourced from PubChem (CID 15526612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).