[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone

C21H18FNO3 — CID 47023687

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H18FNO3/c22-17-7-5-14(6-8-17)20-13-23(9-10-26-20)21(25)18-11-15-3-1-2-4-16(15)12-19(18)24/h1-8,11-12,20,24H,9-10,13H2
InChIKeyPTWYYIFTKXKAOX-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.90
Rot. Bonds2

About [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone (PubChem CID 47023687) has the molecular formula C21H18FNO3 and a molecular weight of 351.38 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
PubChem CID47023687
Molecular FormulaC21H18FNO3
Molecular Weight351.38 g/mol
Exact Mass351.13
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H18FNO3/c22-17-7-5-14(6-8-17)20-13-23(9-10-26-20)21(25)18-11-15-3-1-2-4-16(15)12-19(18)24/h1-8,11-12,20,24H,9-10,13H2
InChIKeyPTWYYIFTKXKAOX-UHFFFAOYSA-N
XLogP3.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56540662
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
CID 38373556
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
CID 16894693
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxy-4-nitrophenyl)methanone
CID 38374136

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone (CID 47023687) is [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone is O=C(c1cc2ccccc2cc1O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The InChIKey is PTWYYIFTKXKAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO3/c22-17-7-5-14(6-8-17)20-13-23(9-10-26-20)21(25)18-11-15-3-1-2-4-16(15)12-19(18)24/h1-8,11-12,20,24H,9-10,13H2.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone has a molecular weight of 351.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 47023687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).