[2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol

C18H18F3NO2 — CID 164636685

IUPAC[2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1-c1cccc([C@@H]2COCCN2)c1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)15-4-5-16(14(9-15)10-23)12-2-1-3-13(8-12)17-11-24-7-6-22-17/h1-5,8-9,17,22-23H,6-7,10-11H2/t17-/m0/s1
InChIKeyNQPUKUNEYZUKLC-KRWDZBQOSA-N
MW337.34 g/mol
LogP3.53
Rot. Bonds3

About [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol

[2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol (PubChem CID 164636685) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol
PubChem CID164636685
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name[2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1-c1cccc([C@@H]2COCCN2)c1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)15-4-5-16(14(9-15)10-23)12-2-1-3-13(8-12)17-11-24-7-6-22-17/h1-5,8-9,17,22-23H,6-7,10-11H2/t17-/m0/s1
InChIKeyNQPUKUNEYZUKLC-KRWDZBQOSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol (CID 164636685) is [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)ccc1-c1cccc([C@@H]2COCCN2)c1.
What is the InChIKey of [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is NQPUKUNEYZUKLC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)15-4-5-16(14(9-15)10-23)12-2-1-3-13(8-12)17-11-24-7-6-22-17/h1-5,8-9,17,22-23H,6-7,10-11H2/t17-/m0/s1.
What are the key properties of [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol?
[2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 337.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(3R)-morpholin-3-yl]phenyl]-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 164636685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).