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

C18H11F3N2O3 — CID 135915010

IUPAC(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1O)c1cnc(-c2ccc(O)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)16-13(15(26)12-3-1-2-4-14(12)25)9-22-17(23-16)10-5-7-11(24)8-6-10/h1-9,24-25H
InChIKeyRQXDQAQJYQHBHI-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.80
Rot. Bonds3

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

(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 135915010) has the molecular formula C18H11F3N2O3 and a molecular weight of 360.29 g/mol. Its IUPAC name is (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID135915010
Molecular FormulaC18H11F3N2O3
Molecular Weight360.29 g/mol
Exact Mass360.07
IUPAC Name(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1ccccc1O)c1cnc(-c2ccc(O)cc2)nc1C(F)(F)F
InChIInChI=1S/C18H11F3N2O3/c19-18(20,21)16-13(15(26)12-3-1-2-4-14(12)25)9-22-17(23-16)10-5-7-11(24)8-6-10/h1-9,24-25H
InChIKeyRQXDQAQJYQHBHI-UHFFFAOYSA-N
XLogP3.80
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 135915010) is (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone is O=C(c1ccccc1O)c1cnc(-c2ccc(O)cc2)nc1C(F)(F)F.
What is the InChIKey of (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is RQXDQAQJYQHBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O3/c19-18(20,21)16-13(15(26)12-3-1-2-4-14(12)25)9-22-17(23-16)10-5-7-11(24)8-6-10/h1-9,24-25H.
What are the key properties of (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone?
(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 360.29 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-4-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 135915010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).