(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol

C15H24O3 — CID 102572212

IUPAC(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
SMILESCC(C)C[C@H](CO)[C@H](O)COCc1ccccc1
InChIInChI=1S/C15H24O3/c1-12(2)8-14(9-16)15(17)11-18-10-13-6-4-3-5-7-13/h3-7,12,14-17H,8-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyHHJPRMZLDKXACY-HUUCEWRRSA-N
MW252.35 g/mol
LogP2.22
Rot. Bonds8

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

(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol (PubChem CID 102572212) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol.

Molecular Properties

Compound Name(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
PubChem CID102572212
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol
SMILESCC(C)C[C@H](CO)[C@H](O)COCc1ccccc1
InChIInChI=1S/C15H24O3/c1-12(2)8-14(9-16)15(17)11-18-10-13-6-4-3-5-7-13/h3-7,12,14-17H,8-11H2,1-2H3/t14-,15-/m1/s1
InChIKeyHHJPRMZLDKXACY-HUUCEWRRSA-N
XLogP2.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2R,3S)-4-phenylmethoxy-2-prop-2-enylbutane-1,3-diol
CID 13355189
(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
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(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
(2R,3R)-4-phenylmethoxy-2-phenylsulfanylbutane-1,3-diol
CID 11243648
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol?
The IUPAC name of (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol (CID 102572212) is (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol.
What is the SMILES notation for (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol?
The canonical SMILES for (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol is CC(C)C[C@H](CO)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol?
The InChIKey is HHJPRMZLDKXACY-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H24O3/c1-12(2)8-14(9-16)15(17)11-18-10-13-6-4-3-5-7-13/h3-7,12,14-17H,8-11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol?
(2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol has a molecular weight of 252.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2-methylpropyl)-4-phenylmethoxybutane-1,3-diol is sourced from PubChem (CID 102572212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).