[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

C22H20F3NO2 — CID 56809621

IUPAC[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H20F3NO2/c23-22(24,25)20-4-2-1-3-17(20)18-13-19(18)21(28)26-11-9-15(10-12-26)14-5-7-16(27)8-6-14/h1-9,18-19,27H,10-13H2
InChIKeyDXSLSCHZWQCKOO-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.83
Rot. Bonds3

About [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 56809621) has the molecular formula C22H20F3NO2 and a molecular weight of 387.40 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID56809621
Molecular FormulaC22H20F3NO2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H20F3NO2/c23-22(24,25)20-4-2-1-3-17(20)18-13-19(18)21(28)26-11-9-15(10-12-26)14-5-7-16(27)8-6-14/h1-9,18-19,27H,10-13H2
InChIKeyDXSLSCHZWQCKOO-UHFFFAOYSA-N
XLogP4.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 56809621) is [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C(C1CC1c1ccccc1C(F)(F)F)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is DXSLSCHZWQCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO2/c23-22(24,25)20-4-2-1-3-17(20)18-13-19(18)21(28)26-11-9-15(10-12-26)14-5-7-16(27)8-6-14/h1-9,18-19,27H,10-13H2.
What are the key properties of [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 387.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 56809621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).