(4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol

C24H23FO4 — CID 69201826

IUPAC(4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol
SMILESOC(c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C24H23FO4/c25-19-8-11-22(23(14-19)28-15-17-4-2-1-3-5-17)24(26)18-6-9-20(10-7-18)29-21-12-13-27-16-21/h1-11,14,21,24,26H,12-13,15-16H2/t21-,24?/m1/s1
InChIKeyNJTDLHBBWIVSJQ-CILPGNKCSA-N
MW394.44 g/mol
LogP4.65
Rot. Bonds7

About (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol

(4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol (PubChem CID 69201826) has the molecular formula C24H23FO4 and a molecular weight of 394.44 g/mol. Its IUPAC name is (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name(4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol
PubChem CID69201826
Molecular FormulaC24H23FO4
Molecular Weight394.44 g/mol
Exact Mass394.16
IUPAC Name(4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol
SMILESOC(c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(F)cc1OCc1ccccc1
InChIInChI=1S/C24H23FO4/c25-19-8-11-22(23(14-19)28-15-17-4-2-1-3-5-17)24(26)18-6-9-20(10-7-18)29-21-12-13-27-16-21/h1-11,14,21,24,26H,12-13,15-16H2/t21-,24?/m1/s1
InChIKeyNJTDLHBBWIVSJQ-CILPGNKCSA-N
XLogP4.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
CID 138485730
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
4-(oxan-4-yloxy)-3-phenylmethoxyaniline
CID 146026850
1-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-3-phenylpropan-1-ol
CID 25178114
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
4-(4-benzylphenoxy)oxane
CID 142700383
(4-methoxyphenyl)-(7-methoxy-3-phenylmethoxynaphthalen-2-yl)methanol
CID 25132186

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol?
The IUPAC name of (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol (CID 69201826) is (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol.
What is the SMILES notation for (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol?
The canonical SMILES for (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol is OC(c1ccc(O[C@@H]2CCOC2)cc1)c1ccc(F)cc1OCc1ccccc1.
What is the InChIKey of (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol?
The InChIKey is NJTDLHBBWIVSJQ-CILPGNKCSA-N. The full InChI is InChI=1S/C24H23FO4/c25-19-8-11-22(23(14-19)28-15-17-4-2-1-3-5-17)24(26)18-6-9-20(10-7-18)29-21-12-13-27-16-21/h1-11,14,21,24,26H,12-13,15-16H2/t21-,24?/m1/s1.
What are the key properties of (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol?
(4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol has a molecular weight of 394.44 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-phenylmethoxyphenyl)-[4-[(3R)-oxolan-3-yl]oxyphenyl]methanol is sourced from PubChem (CID 69201826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).