(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol

C11H16O3 — CID 101086068

IUPAC(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
SMILESC[C@](O)(CO)COCc1ccccc1
InChIInChI=1S/C11H16O3/c1-11(13,8-12)9-14-7-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3/t11-/m0/s1
InChIKeySSSJFNGENINQHY-NSHDSACASA-N
MW196.25 g/mol
LogP0.95
Rot. Bonds5

About (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol

(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol (PubChem CID 101086068) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
PubChem CID101086068
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
SMILESC[C@](O)(CO)COCc1ccccc1
InChIInChI=1S/C11H16O3/c1-11(13,8-12)9-14-7-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3/t11-/m0/s1
InChIKeySSSJFNGENINQHY-NSHDSACASA-N
XLogP0.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
2-(hydroxymethyl)-2-(phenylmethoxymethyl)propane-1,3-diol
CID 11974408
2-fluoro-2-methyl-3-phenylmethoxypropan-1-ol
CID 10821802
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
(2R)-2-methyl-3-phenylmethoxy-2-phenylsulfanylpropan-1-ol
CID 102391080
2-[(dimethylamino)methyl]-2-methyl-3-phenylmethoxypropan-1-ol
CID 15348373
2,2-dimethyl-3-(3-phenylmethoxypropoxy)propan-1-ol
CID 165127154
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
1-bromo-3,3-dimethyl-4-phenylmethoxybutan-2-one
CID 134460062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol?
The IUPAC name of (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol (CID 101086068) is (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol.
What is the SMILES notation for (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol?
The canonical SMILES for (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol is C[C@](O)(CO)COCc1ccccc1.
What is the InChIKey of (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol?
The InChIKey is SSSJFNGENINQHY-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O3/c1-11(13,8-12)9-14-7-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol?
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol has a molecular weight of 196.25 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-phenylmethoxypropane-1,2-diol is sourced from PubChem (CID 101086068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).