(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol

C19H21FO3 — CID 56946569

IUPAC(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol
SMILESOC(/C=C/c1ccc(F)cc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C19H21FO3/c20-17-9-6-15(7-10-17)8-11-18(21)12-19(22)14-23-13-16-4-2-1-3-5-16/h1-11,18-19,21-22H,12-14H2/b11-8+/t18?,19-/m1/s1
InChIKeyXMGOHOVTJGMWJN-KHZFEFQQSA-N
MW316.37 g/mol
LogP3.17
Rot. Bonds8

About (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol

(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol (PubChem CID 56946569) has the molecular formula C19H21FO3 and a molecular weight of 316.37 g/mol. Its IUPAC name is (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol.

Molecular Properties

Compound Name(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol
PubChem CID56946569
Molecular FormulaC19H21FO3
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol
SMILESOC(/C=C/c1ccc(F)cc1)C[C@@H](O)COCc1ccccc1
InChIInChI=1S/C19H21FO3/c20-17-9-6-15(7-10-17)8-11-18(21)12-19(22)14-23-13-16-4-2-1-3-5-16/h1-11,18-19,21-22H,12-14H2/b11-8+/t18?,19-/m1/s1
InChIKeyXMGOHOVTJGMWJN-KHZFEFQQSA-N
XLogP3.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
CID 70426552
1-fluoro-4-[(E)-3-phenylmethoxyprop-1-enyl]benzene
CID 11579619
6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
CID 73319702
2,5-bis[(4-fluorophenyl)methoxy]-1,6-bis(phenylmethoxy)hexane-3,4-diol
CID 18358352
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
CID 172760983
CID 172760983
6-methyl-7-phenylmethoxyhept-2-en-4-ol
CID 57213229
(2S,3S,4E,6E)-7-phenyl-1-phenylmethoxyhepta-4,6-diene-2,3-diol
CID 10542988
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
(2R)-4,5,5-trifluoro-1-phenylmethoxypent-4-en-2-ol
CID 11207330

Frequently Asked Questions

What is the IUPAC name of (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol?
The IUPAC name of (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol (CID 56946569) is (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol.
What is the SMILES notation for (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol?
The canonical SMILES for (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol is OC(/C=C/c1ccc(F)cc1)C[C@@H](O)COCc1ccccc1.
What is the InChIKey of (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol?
The InChIKey is XMGOHOVTJGMWJN-KHZFEFQQSA-N. The full InChI is InChI=1S/C19H21FO3/c20-17-9-6-15(7-10-17)8-11-18(21)12-19(22)14-23-13-16-4-2-1-3-5-16/h1-11,18-19,21-22H,12-14H2/b11-8+/t18?,19-/m1/s1.
What are the key properties of (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol?
(E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol has a molecular weight of 316.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-6-(4-fluorophenyl)-1-phenylmethoxyhex-5-ene-2,4-diol is sourced from PubChem (CID 56946569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).