[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol

C30H28FNO2 — CID 70335752

IUPAC[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1cc(F)ccc1-c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C30H28FNO2/c31-26-16-17-27(24-12-6-2-7-13-24)28(20-26)30(33,25-14-8-3-9-15-25)29-22-32(18-19-34-29)21-23-10-4-1-5-11-23/h1-17,20,29,33H,18-19,21-22H2/t29-,30?/m0/s1
InChIKeyNCZWNKHEUMKXMT-UFXYQILXSA-N
MW453.56 g/mol
LogP5.63
Rot. Bonds6

About [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol

[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol (PubChem CID 70335752) has the molecular formula C30H28FNO2 and a molecular weight of 453.56 g/mol. Its IUPAC name is [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol.

Molecular Properties

Compound Name[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol
PubChem CID70335752
Molecular FormulaC30H28FNO2
Molecular Weight453.56 g/mol
Exact Mass453.21
IUPAC Name[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1cc(F)ccc1-c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C30H28FNO2/c31-26-16-17-27(24-12-6-2-7-13-24)28(20-26)30(33,25-14-8-3-9-15-25)29-22-32(18-19-34-29)21-23-10-4-1-5-11-23/h1-17,20,29,33H,18-19,21-22H2/t29-,30?/m0/s1
InChIKeyNCZWNKHEUMKXMT-UFXYQILXSA-N
XLogP5.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol
CID 70336164
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292293
1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol
CID 69292131
[(2R)-4-benzylmorpholin-2-yl]-(4-fluorophenyl)methanol
CID 69431465
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
CID 143010879
4-(4-benzylmorpholin-2-yl)-3-(trifluoromethyl)phenol
CID 66654055
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol?
The IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol (CID 70335752) is [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol.
What is the SMILES notation for [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol?
The canonical SMILES for [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol is OC(c1ccccc1)(c1cc(F)ccc1-c1ccccc1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol?
The InChIKey is NCZWNKHEUMKXMT-UFXYQILXSA-N. The full InChI is InChI=1S/C30H28FNO2/c31-26-16-17-27(24-12-6-2-7-13-24)28(20-26)30(33,25-14-8-3-9-15-25)29-22-32(18-19-34-29)21-23-10-4-1-5-11-23/h1-17,20,29,33H,18-19,21-22H2/t29-,30?/m0/s1.
What are the key properties of [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol?
[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol has a molecular weight of 453.56 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol is sourced from PubChem (CID 70335752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).