[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone

C27H19F3O2 — CID 77461548

IUPAC[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C(=O)c3ccccc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H19F3O2/c1-32-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)25(24(17-21)27(28,29)30)26(31)20-10-6-3-7-11-20/h2-17H,1H3
InChIKeyBULMICKGHWACMU-UHFFFAOYSA-N
MW432.44 g/mol
LogP7.28
Rot. Bonds5

About [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone

[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone (PubChem CID 77461548) has the molecular formula C27H19F3O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone
PubChem CID77461548
Molecular FormulaC27H19F3O2
Molecular Weight432.44 g/mol
Exact Mass432.13
IUPAC Name[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C(=O)c3ccccc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C27H19F3O2/c1-32-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)25(24(17-21)27(28,29)30)26(31)20-10-6-3-7-11-20/h2-17H,1H3
InChIKeyBULMICKGHWACMU-UHFFFAOYSA-N
XLogP7.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone (CID 77461548) is [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone is COc1ccc(-c2cc(-c3ccccc3)c(C(=O)c3ccccc3)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone?
The InChIKey is BULMICKGHWACMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3O2/c1-32-22-14-12-18(13-15-22)21-16-23(19-8-4-2-5-9-19)25(24(17-21)27(28,29)30)26(31)20-10-6-3-7-11-20/h2-17H,1H3.
What are the key properties of [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone?
[4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone has a molecular weight of 432.44 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)-2-phenyl-6-(trifluoromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 77461548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).