(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol

C10H14O3 — CID 14249015

IUPAC(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
SMILESCO[C@H](c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C10H14O3/c1-13-10(9(12)7-11)8-5-3-2-4-6-8/h2-6,9-12H,7H2,1H3/t9-,10+/m0/s1
InChIKeyZTVYLWSNZJPUOA-VHSXEESVSA-N
MW182.22 g/mol
LogP0.73
Rot. Bonds4

About (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol

(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol (PubChem CID 14249015) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
PubChem CID14249015
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
SMILESCO[C@H](c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C10H14O3/c1-13-10(9(12)7-11)8-5-3-2-4-6-8/h2-6,9-12H,7H2,1H3/t9-,10+/m0/s1
InChIKeyZTVYLWSNZJPUOA-VHSXEESVSA-N
XLogP0.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 116756893
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CID 116756994
1-methoxy-4-methylidene-1-phenylhexan-2-ol
CID 116756832
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
3-(2,5-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756862
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868
(3R,4S,5R)-3,4,5,6-tetrahydroxy-1-methoxy-1-phenylhexan-2-one
CID 54041421
[(1S,2S)-1-ethoxy-2-methoxy-2-phenylethyl]benzene
CID 143834566

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol?
The IUPAC name of (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol (CID 14249015) is (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol.
What is the SMILES notation for (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol?
The canonical SMILES for (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol is CO[C@H](c1ccccc1)[C@@H](O)CO.
What is the InChIKey of (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol?
The InChIKey is ZTVYLWSNZJPUOA-VHSXEESVSA-N. The full InChI is InChI=1S/C10H14O3/c1-13-10(9(12)7-11)8-5-3-2-4-6-8/h2-6,9-12H,7H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol?
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol has a molecular weight of 182.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-3-phenylpropane-1,2-diol is sourced from PubChem (CID 14249015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).