(3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol

C12H16OS — CID 11052862

IUPAC(3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol
SMILESC=C(Sc1ccc(C)cc1)[C@H](O)CC
InChIInChI=1S/C12H16OS/c1-4-12(13)10(3)14-11-7-5-9(2)6-8-11/h5-8,12-13H,3-4H2,1-2H3/t12-/m1/s1
InChIKeyLVTALQYQYODCAJ-GFCCVEGCSA-N
MW208.33 g/mol
LogP3.37
Rot. Bonds4

About (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol

(3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol (PubChem CID 11052862) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name(3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol
PubChem CID11052862
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol
SMILESC=C(Sc1ccc(C)cc1)[C@H](O)CC
InChIInChI=1S/C12H16OS/c1-4-12(13)10(3)14-11-7-5-9(2)6-8-11/h5-8,12-13H,3-4H2,1-2H3/t12-/m1/s1
InChIKeyLVTALQYQYODCAJ-GFCCVEGCSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
(4-(Tert-butylsulfanyl)phenyl)methanol
CID 11830367
(E)-1-(p-Tolylsulfonyl)-1-propen-3-ol
CID 1735958
1,2-Propanediol, 3-(o-tolylthio)-
CID 115624
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
2-m-Tolylsulfanyl-ethanol
CID 2760020
(2S,4R)-2-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)-3,4-dihydrothiopyran-4-ol
CID 154712784
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227
2-Methyl-3-(4-methylphenyl)sulfonylpropan-1-ol
CID 14640298
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878
(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10488905

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol?
The IUPAC name of (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol (CID 11052862) is (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol.
What is the SMILES notation for (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol?
The canonical SMILES for (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol is C=C(Sc1ccc(C)cc1)[C@H](O)CC.
What is the InChIKey of (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol?
The InChIKey is LVTALQYQYODCAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16OS/c1-4-12(13)10(3)14-11-7-5-9(2)6-8-11/h5-8,12-13H,3-4H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol?
(3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol has a molecular weight of 208.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-methylphenyl)sulfanylpent-1-en-3-ol is sourced from PubChem (CID 11052862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).