1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene

C15H13F3O — CID 71499549

IUPAC1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
SMILESCOc1ccc(Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3O/c1-19-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15(16,17)18/h2-9H,10H2,1H3
InChIKeyPLAKDWIYLJLHRL-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.30
Rot. Bonds3

About 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene

1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 71499549) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID71499549
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene
SMILESCOc1ccc(Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H13F3O/c1-19-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15(16,17)18/h2-9H,10H2,1H3
InChIKeyPLAKDWIYLJLHRL-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
4-Methylanisole
CID 7731
2-Methoxynaphthalene
CID 7119
cis-Anethole
CID 1549040
4-Propylanisole
CID 7702
4-Methoxybiphenyl
CID 11943
2-Ethoxynaphthalene
CID 7129
2,4-Dimethylanisole
CID 81221
4-Methoxystyrene
CID 12507
1-(Cyclopropylmethyl)-4-methoxybenzene
CID 6422476
1-Ethyl-4-methoxybenzene
CID 73690

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene (CID 71499549) is 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene is COc1ccc(Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is PLAKDWIYLJLHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-19-13-8-6-11(7-9-13)10-12-4-2-3-5-14(12)15(16,17)18/h2-9H,10H2,1H3.
What are the key properties of 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene?
1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 266.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[2-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 71499549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).