2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene

C20H19F3O2 — CID 141097992

IUPAC2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2ccc(Cc3ccc(OC)cc3)cc2O1
InChIInChI=1S/C20H19F3O2/c1-3-19(20(21,22)23)11-10-16-7-4-15(13-18(16)25-19)12-14-5-8-17(24-2)9-6-14/h4-11,13H,3,12H2,1-2H3
InChIKeyVVFAZABKZKBEPW-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.40
Rot. Bonds4

About 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene

2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene (PubChem CID 141097992) has the molecular formula C20H19F3O2 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene.

Molecular Properties

Compound Name2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene
PubChem CID141097992
Molecular FormulaC20H19F3O2
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2ccc(Cc3ccc(OC)cc3)cc2O1
InChIInChI=1S/C20H19F3O2/c1-3-19(20(21,22)23)11-10-16-7-4-15(13-18(16)25-19)12-14-5-8-17(24-2)9-6-14/h4-11,13H,3,12H2,1-2H3
InChIKeyVVFAZABKZKBEPW-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(4-methylphenyl)methyl]-2-(trifluoromethyl)chromene-2-carboxylic acid
CID 151356201
6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene
CID 141098179
7-methoxyspiro[chromene-2,1'-cycloheptane]
CID 15081060
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
(3S,3'R,4'S,5'S,6'R)-5-[(4-methoxyphenyl)methyl]-6'-methylspiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
CID 135360468
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287
4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 58598667
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
1-[2-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]ethanone
CID 22961575
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene?
The IUPAC name of 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene (CID 141097992) is 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene.
What is the SMILES notation for 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene?
The canonical SMILES for 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene is CCC1(C(F)(F)F)C=Cc2ccc(Cc3ccc(OC)cc3)cc2O1.
What is the InChIKey of 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene?
The InChIKey is VVFAZABKZKBEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O2/c1-3-19(20(21,22)23)11-10-16-7-4-15(13-18(16)25-19)12-14-5-8-17(24-2)9-6-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene?
2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene has a molecular weight of 348.36 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)chromene is sourced from PubChem (CID 141097992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).