(2S,3R)-1-phenoxybutane-2,3-diol

C10H14O3 — CID 91592541

IUPAC(2S,3R)-1-phenoxybutane-2,3-diol
SMILESC[C@@H](O)[C@@H](O)COc1ccccc1
InChIInChI=1S/C10H14O3/c1-8(11)10(12)7-13-9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+/m1/s1
InChIKeyXJBQYXCXGYSVBZ-SCZZXKLOSA-N
MW182.22 g/mol
LogP0.81
Rot. Bonds4

About (2S,3R)-1-phenoxybutane-2,3-diol

(2S,3R)-1-phenoxybutane-2,3-diol (PubChem CID 91592541) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S,3R)-1-phenoxybutane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-1-phenoxybutane-2,3-diol
PubChem CID91592541
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2S,3R)-1-phenoxybutane-2,3-diol
SMILESC[C@@H](O)[C@@H](O)COc1ccccc1
InChIInChI=1S/C10H14O3/c1-8(11)10(12)7-13-9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+/m1/s1
InChIKeyXJBQYXCXGYSVBZ-SCZZXKLOSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
ethane;1-phenoxypropan-2-ol
CID 90926921
(4S,5R)-5-hydroxy-2,4-dimethyl-6-phenoxyhexan-3-one
CID 11390719
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
acetic acid;1-phenoxypropan-2-ol
CID 68567525
oxalic acid;(2R,3S)-1-phenoxy-3-(propan-2-ylamino)butan-2-ol
CID 90675134
3-nitro-4-phenoxybutan-2-ol
CID 91179947
CID 142401703
CID 142401703
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
4-phenoxy-2-phenylbutane-1,3-diol
CID 57253485
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
CID 70813597

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-phenoxybutane-2,3-diol?
The IUPAC name of (2S,3R)-1-phenoxybutane-2,3-diol (CID 91592541) is (2S,3R)-1-phenoxybutane-2,3-diol.
What is the SMILES notation for (2S,3R)-1-phenoxybutane-2,3-diol?
The canonical SMILES for (2S,3R)-1-phenoxybutane-2,3-diol is C[C@@H](O)[C@@H](O)COc1ccccc1.
What is the InChIKey of (2S,3R)-1-phenoxybutane-2,3-diol?
The InChIKey is XJBQYXCXGYSVBZ-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H14O3/c1-8(11)10(12)7-13-9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-1-phenoxybutane-2,3-diol?
(2S,3R)-1-phenoxybutane-2,3-diol has a molecular weight of 182.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-phenoxybutane-2,3-diol is sourced from PubChem (CID 91592541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).