(2S,3S)-4-methyl-1-phenylpentane-2,3-diol

C12H18O2 — CID 162856843

IUPAC(2S,3S)-4-methyl-1-phenylpentane-2,3-diol
SMILESCC(C)[C@H](O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C12H18O2/c1-9(2)12(14)11(13)8-10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyWBAZAOUKSLPUIC-RYUDHWBXSA-N
MW194.27 g/mol
LogP1.61
Rot. Bonds4

About (2S,3S)-4-methyl-1-phenylpentane-2,3-diol

(2S,3S)-4-methyl-1-phenylpentane-2,3-diol (PubChem CID 162856843) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2S,3S)-4-methyl-1-phenylpentane-2,3-diol.

Molecular Properties

Compound Name(2S,3S)-4-methyl-1-phenylpentane-2,3-diol
PubChem CID162856843
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2S,3S)-4-methyl-1-phenylpentane-2,3-diol
SMILESCC(C)[C@H](O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C12H18O2/c1-9(2)12(14)11(13)8-10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t11-,12-/m0/s1
InChIKeyWBAZAOUKSLPUIC-RYUDHWBXSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-methyl-1-phenylpentane-2,3-diol?
The IUPAC name of (2S,3S)-4-methyl-1-phenylpentane-2,3-diol (CID 162856843) is (2S,3S)-4-methyl-1-phenylpentane-2,3-diol.
What is the SMILES notation for (2S,3S)-4-methyl-1-phenylpentane-2,3-diol?
The canonical SMILES for (2S,3S)-4-methyl-1-phenylpentane-2,3-diol is CC(C)[C@H](O)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S,3S)-4-methyl-1-phenylpentane-2,3-diol?
The InChIKey is WBAZAOUKSLPUIC-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)12(14)11(13)8-10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,3S)-4-methyl-1-phenylpentane-2,3-diol?
(2S,3S)-4-methyl-1-phenylpentane-2,3-diol has a molecular weight of 194.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-methyl-1-phenylpentane-2,3-diol is sourced from PubChem (CID 162856843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).