2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol

C24H25FO5 — CID 57270167

IUPAC2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
SMILESOc1c(F)cccc1O[C@H](COCc1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C24H25FO5/c25-20-12-7-13-22(24(20)27)30-23(17-29-15-19-10-5-2-6-11-19)21(26)16-28-14-18-8-3-1-4-9-18/h1-13,21,23,26-27H,14-17H2/t21?,23-/m1/s1
InChIKeyAPCVDKNWHIQQAU-JFGZAKSSSA-N
MW412.46 g/mol
LogP4.07
Rot. Bonds11

About 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol

2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol (PubChem CID 57270167) has the molecular formula C24H25FO5 and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol.

Molecular Properties

Compound Name2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
PubChem CID57270167
Molecular FormulaC24H25FO5
Molecular Weight412.46 g/mol
Exact Mass412.17
IUPAC Name2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
SMILESOc1c(F)cccc1O[C@H](COCc1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C24H25FO5/c25-20-12-7-13-22(24(20)27)30-23(17-29-15-19-10-5-2-6-11-19)21(26)16-28-14-18-8-3-1-4-9-18/h1-13,21,23,26-27H,14-17H2/t21?,23-/m1/s1
InChIKeyAPCVDKNWHIQQAU-JFGZAKSSSA-N
XLogP4.07
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 54.07
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-[(2R,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol
CID 10644340
(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
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
(2R,3S)-3-(3-hydroxypropoxy)-1,4-bis(phenylmethoxy)butan-2-ol
CID 121493935
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
(2S,3S)-3-bromo-1,4-bis(phenylmethoxy)butan-2-ol
CID 101083353

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
The IUPAC name of 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol (CID 57270167) is 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol.
What is the SMILES notation for 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
The canonical SMILES for 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol is Oc1c(F)cccc1O[C@H](COCc1ccccc1)C(O)COCc1ccccc1.
What is the InChIKey of 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
The InChIKey is APCVDKNWHIQQAU-JFGZAKSSSA-N. The full InChI is InChI=1S/C24H25FO5/c25-20-12-7-13-22(24(20)27)30-23(17-29-15-19-10-5-2-6-11-19)21(26)16-28-14-18-8-3-1-4-9-18/h1-13,21,23,26-27H,14-17H2/t21?,23-/m1/s1.
What are the key properties of 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol?
2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol has a molecular weight of 412.46 g/mol, XLogP of 4.07, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2R)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxyphenol is sourced from PubChem (CID 57270167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).