(2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone

C18H11F3N2O2 — CID 135006712

IUPAC(2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1O)c1cnc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)16-13(15(25)12-8-4-5-9-14(12)24)10-22-17(23-16)11-6-2-1-3-7-11/h1-10,24H
InChIKeyAJDSOFRMQVXROU-UHFFFAOYSA-N
MW344.29 g/mol
LogP4.10
Rot. Bonds3

About (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone

(2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 135006712) has the molecular formula C18H11F3N2O2 and a molecular weight of 344.29 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID135006712
Molecular FormulaC18H11F3N2O2
Molecular Weight344.29 g/mol
Exact Mass344.08
IUPAC Name(2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1O)c1cnc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O2/c19-18(20,21)16-13(15(25)12-8-4-5-9-14(12)24)10-22-17(23-16)11-6-2-1-3-7-11/h1-10,24H
InChIKeyAJDSOFRMQVXROU-UHFFFAOYSA-N
XLogP4.10
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 135006712) is (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone is O=C(c1ccccc1O)c1cnc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is AJDSOFRMQVXROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O2/c19-18(20,21)16-13(15(25)12-8-4-5-9-14(12)24)10-22-17(23-16)11-6-2-1-3-7-11/h1-10,24H.
What are the key properties of (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
(2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 344.29 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[2-phenyl-4-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 135006712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).