2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol

C24H26O5 — CID 10644340

IUPAC2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
SMILESOc1ccccc1O[C@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C24H26O5/c25-21-13-7-8-14-23(21)29-24(18-28-16-20-11-5-2-6-12-20)22(26)17-27-15-19-9-3-1-4-10-19/h1-14,22,24-26H,15-18H2/t22-,24+/m0/s1
InChIKeyKCPSXTVTCZAIEG-LADGPHEKSA-N
MW394.47 g/mol
LogP3.93
Rot. Bonds11

About 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol

2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol (PubChem CID 10644340) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol.

Molecular Properties

Compound Name2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
PubChem CID10644340
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Name2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
SMILESOc1ccccc1O[C@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C24H26O5/c25-21-13-7-8-14-23(21)29-24(18-28-16-20-11-5-2-6-12-20)22(26)17-27-15-19-9-3-1-4-10-19/h1-14,22,24-26H,15-18H2/t22-,24+/m0/s1
InChIKeyKCPSXTVTCZAIEG-LADGPHEKSA-N
XLogP3.93
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-[3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
CID 70428683
2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
CID 57270167
(2R,3R,4R,5R)-1,6-bis(phenylmethoxy)hexane-2,3,4,5-tetrol
CID 10713667
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S,3S)-2,4-bis(phenylmethoxy)butane-1,3-diol
CID 14303090
[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl] acetate
CID 101029598
(2R,3S)-3-(3-hydroxypropoxy)-1,4-bis(phenylmethoxy)butan-2-ol
CID 121493935
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
The IUPAC name of 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol (CID 10644340) is 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol.
What is the SMILES notation for 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
The canonical SMILES for 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol is Oc1ccccc1O[C@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
The InChIKey is KCPSXTVTCZAIEG-LADGPHEKSA-N. The full InChI is InChI=1S/C24H26O5/c25-21-13-7-8-14-23(21)29-24(18-28-16-20-11-5-2-6-12-20)22(26)17-27-15-19-9-3-1-4-10-19/h1-14,22,24-26H,15-18H2/t22-,24+/m0/s1.
What are the key properties of 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol has a molecular weight of 394.47 g/mol, XLogP of 3.93, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol is sourced from PubChem (CID 10644340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).