1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone

C18H17F3O2 — CID 91864206

IUPAC1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(OCc2ccccc2)cc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C18H17F3O2/c1-3-14-9-15(23-11-13-7-5-4-6-8-13)10-16(18(19,20)21)17(14)12(2)22/h4-10H,3,11H2,1-2H3
InChIKeyWDUANDVWDAXMGT-UHFFFAOYSA-N
MW322.33 g/mol
LogP5.05
Rot. Bonds5

About 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone

1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 91864206) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
PubChem CID91864206
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
SMILESCCc1cc(OCc2ccccc2)cc(C(F)(F)F)c1C(C)=O
InChIInChI=1S/C18H17F3O2/c1-3-14-9-15(23-11-13-7-5-4-6-8-13)10-16(18(19,20)21)17(14)12(2)22/h4-10H,3,11H2,1-2H3
InChIKeyWDUANDVWDAXMGT-UHFFFAOYSA-N
XLogP5.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
1-[4-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)phenyl]ethanone
CID 175647114
1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863188
2-(2-acetyl-3-nitro-5-phenylmethoxyphenyl)acetic acid
CID 91863265
1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863489
1-chloro-2-fluoro-5-phenylmethoxy-3-(trifluoromethyl)benzene
CID 125116513
2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetic acid
CID 141320097
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
ethyl 2-acetyl-3-chloro-5-phenylmethoxybenzoate
CID 91863418
1-[4-[(4-bromophenyl)methoxy]-2-(trifluoromethyl)phenyl]ethanone
CID 91864256

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone (CID 91864206) is 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone is CCc1cc(OCc2ccccc2)cc(C(F)(F)F)c1C(C)=O.
What is the InChIKey of 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is WDUANDVWDAXMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O2/c1-3-14-9-15(23-11-13-7-5-4-6-8-13)10-16(18(19,20)21)17(14)12(2)22/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone?
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 322.33 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 91864206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).