(2R,3R)-2-phenylmethoxybutane-1,3-diol

C11H16O3 — CID 130609358

IUPAC(2R,3R)-2-phenylmethoxybutane-1,3-diol
SMILESC[C@@H](O)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C11H16O3/c1-9(13)11(7-12)14-8-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyUDCCMLGJXMLHBF-MWLCHTKSSA-N
MW196.25 g/mol
LogP0.94
Rot. Bonds5

About (2R,3R)-2-phenylmethoxybutane-1,3-diol

(2R,3R)-2-phenylmethoxybutane-1,3-diol (PubChem CID 130609358) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R,3R)-2-phenylmethoxybutane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-phenylmethoxybutane-1,3-diol
PubChem CID130609358
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2R,3R)-2-phenylmethoxybutane-1,3-diol
SMILESC[C@@H](O)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C11H16O3/c1-9(13)11(7-12)14-8-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11-/m1/s1
InChIKeyUDCCMLGJXMLHBF-MWLCHTKSSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
2-methyl-4-phenylmethoxyhexane-1,3,5-triol
CID 123316682
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2S,3R)-3-[(4-methoxyphenyl)methoxy]-4-phenylbutan-2-ol
CID 121462720
(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
3,4-bis(phenylmethoxy)pentan-1-ol
CID 123654711

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenylmethoxybutane-1,3-diol?
The IUPAC name of (2R,3R)-2-phenylmethoxybutane-1,3-diol (CID 130609358) is (2R,3R)-2-phenylmethoxybutane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-phenylmethoxybutane-1,3-diol?
The canonical SMILES for (2R,3R)-2-phenylmethoxybutane-1,3-diol is C[C@@H](O)[C@@H](CO)OCc1ccccc1.
What is the InChIKey of (2R,3R)-2-phenylmethoxybutane-1,3-diol?
The InChIKey is UDCCMLGJXMLHBF-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H16O3/c1-9(13)11(7-12)14-8-10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of (2R,3R)-2-phenylmethoxybutane-1,3-diol?
(2R,3R)-2-phenylmethoxybutane-1,3-diol has a molecular weight of 196.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenylmethoxybutane-1,3-diol is sourced from PubChem (CID 130609358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).