(3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

C21H16F3NO3 — CID 67037150

IUPAC(3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(C(=O)c2cccnc2C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C21H16F3NO3/c1-27-18-12-15(9-10-17(18)28-13-14-6-3-2-4-7-14)19(26)16-8-5-11-25-20(16)21(22,23)24/h2-12H,13H2,1H3
InChIKeyKQBURSAVCAJUFB-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.92
Rot. Bonds6

About (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

(3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 67037150) has the molecular formula C21H16F3NO3 and a molecular weight of 387.36 g/mol. Its IUPAC name is (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID67037150
Molecular FormulaC21H16F3NO3
Molecular Weight387.36 g/mol
Exact Mass387.11
IUPAC Name(3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1cc(C(=O)c2cccnc2C(F)(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C21H16F3NO3/c1-27-18-12-15(9-10-17(18)28-13-14-6-3-2-4-7-14)19(26)16-8-5-11-25-20(16)21(22,23)24/h2-12H,13H2,1H3
InChIKeyKQBURSAVCAJUFB-UHFFFAOYSA-N
XLogP4.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 67037150) is (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is COc1cc(C(=O)c2cccnc2C(F)(F)F)ccc1OCc1ccccc1.
What is the InChIKey of (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is KQBURSAVCAJUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO3/c1-27-18-12-15(9-10-17(18)28-13-14-6-3-2-4-7-14)19(26)16-8-5-11-25-20(16)21(22,23)24/h2-12H,13H2,1H3.
What are the key properties of (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
(3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 387.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-phenylmethoxyphenyl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 67037150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).