(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol

C19H24O4 — CID 11067059

IUPAC(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
SMILESC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H24O4/c1-15(20)19(23-13-17-10-6-3-7-11-17)18(21)14-22-12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15-,18-,19-/m1/s1
InChIKeyFOSYGLWSUOVXEF-ATZDWAIDSA-N
MW316.40 g/mol
LogP2.53
Rot. Bonds9

About (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol

(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol (PubChem CID 11067059) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
PubChem CID11067059
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
SMILESC[C@@H](O)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C19H24O4/c1-15(20)19(23-13-17-10-6-3-7-11-17)18(21)14-22-12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15-,18-,19-/m1/s1
InChIKeyFOSYGLWSUOVXEF-ATZDWAIDSA-N
XLogP2.53
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2S,3S,4R)-3-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentane-1,2,4-triol
CID 10690012
(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
CID 10984659
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(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
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol?
The IUPAC name of (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol (CID 11067059) is (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol.
What is the SMILES notation for (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol?
The canonical SMILES for (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol is C[C@@H](O)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol?
The InChIKey is FOSYGLWSUOVXEF-ATZDWAIDSA-N. The full InChI is InChI=1S/C19H24O4/c1-15(20)19(23-13-17-10-6-3-7-11-17)18(21)14-22-12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15-,18-,19-/m1/s1.
What are the key properties of (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol?
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol has a molecular weight of 316.40 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol is sourced from PubChem (CID 11067059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).