(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol

C10H14O2S — CID 106933440

IUPAC(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol
SMILESC[C@@H](O)CSc1ccc(CO)cc1
InChIInChI=1S/C10H14O2S/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1
InChIKeyQOFYPYSEBZYULG-MRVPVSSYSA-N
MW198.29 g/mol
LogP1.65
Rot. Bonds4

About (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol

(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol (PubChem CID 106933440) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol
PubChem CID106933440
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol
SMILESC[C@@H](O)CSc1ccc(CO)cc1
InChIInChI=1S/C10H14O2S/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1
InChIKeyQOFYPYSEBZYULG-MRVPVSSYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol?
The IUPAC name of (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol (CID 106933440) is (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol is C[C@@H](O)CSc1ccc(CO)cc1.
What is the InChIKey of (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol?
The InChIKey is QOFYPYSEBZYULG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8(12)7-13-10-4-2-9(6-11)3-5-10/h2-5,8,11-12H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol?
(2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol has a molecular weight of 198.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(hydroxymethyl)phenyl]sulfanylpropan-2-ol is sourced from PubChem (CID 106933440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).