(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol

C12H18O3 — CID 13112308

IUPAC(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C12H18O3/c1-10(7-13)12(14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyKLPFRPGTGPZUHS-PWSUYJOCSA-N
MW210.27 g/mol
LogP1.19
Rot. Bonds6

About (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol

(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol (PubChem CID 13112308) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
PubChem CID13112308
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C12H18O3/c1-10(7-13)12(14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyKLPFRPGTGPZUHS-PWSUYJOCSA-N
XLogP1.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-methyl-5-phenylmethoxypentane-1,3-diol
CID 13113147
(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
CID 102572212
(3R,4R)-4-methyl-5-phenylmethoxypentane-1,3-diol
CID 101210751
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2S,3R)-3-chloro-4,4-dimethyl-1-phenylmethoxypentan-2-ol
CID 134934585
(2R,3S,4R)-5-phenylmethoxy-2-selanylpentane-1,3,4-triol
CID 154270817
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
CID 172760983
CID 172760983
(2S,3R)-3-bromo-4-phenylmethoxybutane-1,2-diol
CID 101113557

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol?
The IUPAC name of (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol (CID 13112308) is (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol?
The canonical SMILES for (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol is C[C@H](CO)[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol?
The InChIKey is KLPFRPGTGPZUHS-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H18O3/c1-10(7-13)12(14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12-14H,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol?
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol has a molecular weight of 210.27 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol is sourced from PubChem (CID 13112308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).