(2S)-2-phenylpropane-1,2-diol

C9H12O2 — CID 643316

IUPAC(2S)-2-phenylpropane-1,2-diol
SMILESC[C@@](O)(CO)c1ccccc1
InChIInChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3/t9-/m1/s1
InChIKeyLNCZPZFNQQFXPT-SECBINFHSA-N
MW152.19 g/mol
LogP0.89
Rot. Bonds2

About (2S)-2-phenylpropane-1,2-diol

(2S)-2-phenylpropane-1,2-diol (PubChem CID 643316) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2S)-2-phenylpropane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-phenylpropane-1,2-diol
PubChem CID643316
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2S)-2-phenylpropane-1,2-diol
SMILESC[C@@](O)(CO)c1ccccc1
InChIInChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3/t9-/m1/s1
InChIKeyLNCZPZFNQQFXPT-SECBINFHSA-N
XLogP0.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylpropane-1,2-diol?
The IUPAC name of (2S)-2-phenylpropane-1,2-diol (CID 643316) is (2S)-2-phenylpropane-1,2-diol.
What is the SMILES notation for (2S)-2-phenylpropane-1,2-diol?
The canonical SMILES for (2S)-2-phenylpropane-1,2-diol is C[C@@](O)(CO)c1ccccc1.
What is the InChIKey of (2S)-2-phenylpropane-1,2-diol?
The InChIKey is LNCZPZFNQQFXPT-SECBINFHSA-N. The full InChI is InChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-phenylpropane-1,2-diol?
(2S)-2-phenylpropane-1,2-diol has a molecular weight of 152.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylpropane-1,2-diol is sourced from PubChem (CID 643316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).