(2R)-4-methyl-4-phenylsulfanylpentan-2-ol

C12H18OS — CID 15307804

IUPAC(2R)-4-methyl-4-phenylsulfanylpentan-2-ol
SMILESC[C@@H](O)CC(C)(C)Sc1ccccc1
InChIInChI=1S/C12H18OS/c1-10(13)9-12(2,3)14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m1/s1
InChIKeyFWMNXPNTNCAJER-SNVBAGLBSA-N
MW210.34 g/mol
LogP3.33
Rot. Bonds4

About (2R)-4-methyl-4-phenylsulfanylpentan-2-ol

(2R)-4-methyl-4-phenylsulfanylpentan-2-ol (PubChem CID 15307804) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is (2R)-4-methyl-4-phenylsulfanylpentan-2-ol.

Molecular Properties

Compound Name(2R)-4-methyl-4-phenylsulfanylpentan-2-ol
PubChem CID15307804
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name(2R)-4-methyl-4-phenylsulfanylpentan-2-ol
SMILESC[C@@H](O)CC(C)(C)Sc1ccccc1
InChIInChI=1S/C12H18OS/c1-10(13)9-12(2,3)14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m1/s1
InChIKeyFWMNXPNTNCAJER-SNVBAGLBSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
3-(Phenylthio)-1,2-propanediol
CID 21231
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
2-(Phenylsulfanyl)cyclohexanol
CID 278135
cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
CID 90662595
5-Phenylsulfanylpentan-1-ol
CID 346015
2-Butanol, 1-(phenylthio)-
CID 580222
4-(Phenylsulfanyl)-2-butanol
CID 11019506
1-(Phenylsulfanyl)-2-octanol
CID 11276474
2-Methyl-3-phenylthiopropanol
CID 12573588
2-(Phenylsulfanyl)propan-1-ol
CID 15563453

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-4-phenylsulfanylpentan-2-ol?
The IUPAC name of (2R)-4-methyl-4-phenylsulfanylpentan-2-ol (CID 15307804) is (2R)-4-methyl-4-phenylsulfanylpentan-2-ol.
What is the SMILES notation for (2R)-4-methyl-4-phenylsulfanylpentan-2-ol?
The canonical SMILES for (2R)-4-methyl-4-phenylsulfanylpentan-2-ol is C[C@@H](O)CC(C)(C)Sc1ccccc1.
What is the InChIKey of (2R)-4-methyl-4-phenylsulfanylpentan-2-ol?
The InChIKey is FWMNXPNTNCAJER-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18OS/c1-10(13)9-12(2,3)14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-4-phenylsulfanylpentan-2-ol?
(2R)-4-methyl-4-phenylsulfanylpentan-2-ol has a molecular weight of 210.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-4-phenylsulfanylpentan-2-ol is sourced from PubChem (CID 15307804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).