1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

C22H16F6O — CID 18546500

IUPAC1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(COCc2ccccc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H16F6O/c23-21(24,25)18-10-15(11-19(12-18)22(26,27)28)13-29-14-17-8-4-5-9-20(17)16-6-2-1-3-7-16/h1-12H,13-14H2
InChIKeyPURLCZJVZYRQTQ-UHFFFAOYSA-N
MW410.36 g/mol
LogP7.11
Rot. Bonds5

About 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene

1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (PubChem CID 18546500) has the molecular formula C22H16F6O and a molecular weight of 410.36 g/mol. Its IUPAC name is 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
PubChem CID18546500
Molecular FormulaC22H16F6O
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC Name1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(COCc2ccccc2-c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H16F6O/c23-21(24,25)18-10-15(11-19(12-18)22(26,27)28)13-29-14-17-8-4-5-9-20(17)16-6-2-1-3-7-16/h1-12H,13-14H2
InChIKeyPURLCZJVZYRQTQ-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene (CID 18546500) is 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is FC(F)(F)c1cc(COCc2ccccc2-c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
The InChIKey is PURLCZJVZYRQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6O/c23-21(24,25)18-10-15(11-19(12-18)22(26,27)28)13-29-14-17-8-4-5-9-20(17)16-6-2-1-3-7-16/h1-12H,13-14H2.
What are the key properties of 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene?
1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene has a molecular weight of 410.36 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylphenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 18546500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).