[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone

C22H18F3NO4 — CID 175643336

IUPAC[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc2c(-c3cc(OC(F)(F)F)ccc3O)cccc12)N1CCOCC1
InChIInChI=1S/C22H18F3NO4/c23-22(24,25)30-14-7-8-20(27)19(13-14)17-5-1-4-16-15(17)3-2-6-18(16)21(28)26-9-11-29-12-10-26/h1-8,13,27H,9-12H2
InChIKeyWQDMODPTLZWEGR-UHFFFAOYSA-N
MW417.38 g/mol
LogP4.58
Rot. Bonds3

About [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone

[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone (PubChem CID 175643336) has the molecular formula C22H18F3NO4 and a molecular weight of 417.38 g/mol. Its IUPAC name is [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone
PubChem CID175643336
Molecular FormulaC22H18F3NO4
Molecular Weight417.38 g/mol
Exact Mass417.12
IUPAC Name[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc2c(-c3cc(OC(F)(F)F)ccc3O)cccc12)N1CCOCC1
InChIInChI=1S/C22H18F3NO4/c23-22(24,25)30-14-7-8-20(27)19(13-14)17-5-1-4-16-15(17)3-2-6-18(16)21(28)26-9-11-29-12-10-26/h1-8,13,27H,9-12H2
InChIKeyWQDMODPTLZWEGR-UHFFFAOYSA-N
XLogP4.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone (CID 175643336) is [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone is O=C(c1cccc2c(-c3cc(OC(F)(F)F)ccc3O)cccc12)N1CCOCC1.
What is the InChIKey of [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WQDMODPTLZWEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NO4/c23-22(24,25)30-14-7-8-20(27)19(13-14)17-5-1-4-16-15(17)3-2-6-18(16)21(28)26-9-11-29-12-10-26/h1-8,13,27H,9-12H2.
What are the key properties of [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone?
[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone has a molecular weight of 417.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-hydroxy-5-(trifluoromethoxy)phenyl]naphthalen-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 175643336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).