[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone

C15H11F3O2 — CID 82631409

IUPAC[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)c1ccccc1
InChIInChI=1S/C15H11F3O2/c1-20-13-9-11(15(16,17)18)7-8-12(13)14(19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPUNGDZOGTQIHII-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.94
Rot. Bonds3

About [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone

[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone (PubChem CID 82631409) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
PubChem CID82631409
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
SMILESCOc1cc(C(F)(F)F)ccc1C(=O)c1ccccc1
InChIInChI=1S/C15H11F3O2/c1-20-13-9-11(15(16,17)18)7-8-12(13)14(19)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyPUNGDZOGTQIHII-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970683
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanol;[2-methoxy-5-(trifluoromethyl)phenyl]-phenylmethanone
CID 160587565
3-bromo-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134625236
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
4-[2-methoxy-5-(trifluoromethyl)benzoyl]benzonitrile
CID 15718536
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
CID 161391832
CID 161391832
2-methoxy-4-(trifluoromethyl)benzenecarboximidate
CID 154458446

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone (CID 82631409) is [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone is COc1cc(C(F)(F)F)ccc1C(=O)c1ccccc1.
What is the InChIKey of [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone?
The InChIKey is PUNGDZOGTQIHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-20-13-9-11(15(16,17)18)7-8-12(13)14(19)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone?
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone has a molecular weight of 280.25 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 82631409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).