1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol

C21H19FO2 — CID 83988743

IUPAC1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C21H19FO2/c22-20-12-11-18(24-15-17-9-5-2-6-10-17)14-19(20)21(23)13-16-7-3-1-4-8-16/h1-12,14,21,23H,13,15H2
InChIKeyOBRSDMCBYSYNIV-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.68
Rot. Bonds6

About 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol

1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol (PubChem CID 83988743) has the molecular formula C21H19FO2 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol.

Molecular Properties

Compound Name1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
PubChem CID83988743
Molecular FormulaC21H19FO2
Molecular Weight322.38 g/mol
Exact Mass322.14
IUPAC Name1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol
SMILESOC(Cc1ccccc1)c1cc(OCc2ccccc2)ccc1F
InChIInChI=1S/C21H19FO2/c22-20-12-11-18(24-15-17-9-5-2-6-10-17)14-19(20)21(23)13-16-7-3-1-4-8-16/h1-12,14,21,23H,13,15H2
InChIKeyOBRSDMCBYSYNIV-UHFFFAOYSA-N
XLogP4.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
3-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 19868595
1-benzylsulfanyl-2-fluoro-4-phenylmethoxybenzene
CID 167488738
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol?
The IUPAC name of 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol (CID 83988743) is 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol.
What is the SMILES notation for 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol?
The canonical SMILES for 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol is OC(Cc1ccccc1)c1cc(OCc2ccccc2)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol?
The InChIKey is OBRSDMCBYSYNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO2/c22-20-12-11-18(24-15-17-9-5-2-6-10-17)14-19(20)21(23)13-16-7-3-1-4-8-16/h1-12,14,21,23H,13,15H2.
What are the key properties of 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol?
1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol has a molecular weight of 322.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-phenylmethoxyphenyl)-2-phenylethanol is sourced from PubChem (CID 83988743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).