[2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone

C16H13F3O2S — CID 177498780

IUPAC[2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone
SMILESCOc1cccc(CSC(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C16H13F3O2S/c1-21-13-9-5-8-12(10-22-16(17,18)19)14(13)15(20)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyNZFDHZDXCCZUGJ-UHFFFAOYSA-N
MW326.34 g/mol
LogP4.68
Rot. Bonds5

About [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone

[2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone (PubChem CID 177498780) has the molecular formula C16H13F3O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone
PubChem CID177498780
Molecular FormulaC16H13F3O2S
Molecular Weight326.34 g/mol
Exact Mass326.06
IUPAC Name[2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone
SMILESCOc1cccc(CSC(F)(F)F)c1C(=O)c1ccccc1
InChIInChI=1S/C16H13F3O2S/c1-21-13-9-5-8-12(10-22-16(17,18)19)14(13)15(20)11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKeyNZFDHZDXCCZUGJ-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzoyl-3-methoxyphenyl)acetamide
CID 174500242
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-methoxy-6-(2-methoxy-2-oxoethyl)benzoic acid
CID 11064066
(2-fluoro-6-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005289
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
CID 46735271
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone (CID 177498780) is [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone is COc1cccc(CSC(F)(F)F)c1C(=O)c1ccccc1.
What is the InChIKey of [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone?
The InChIKey is NZFDHZDXCCZUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O2S/c1-21-13-9-5-8-12(10-22-16(17,18)19)14(13)15(20)11-6-3-2-4-7-11/h2-9H,10H2,1H3.
What are the key properties of [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone?
[2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone has a molecular weight of 326.34 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(trifluoromethylsulfanylmethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 177498780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).