7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene

C19H16ClF3O2 — CID 141097906

IUPAC7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)c(Oc2ccc3c(c2C)OC(C(F)(F)F)C=C3)cc1C
InChIInChI=1S/C19H16ClF3O2/c1-10-8-14(20)16(9-11(10)2)24-15-6-4-13-5-7-17(19(21,22)23)25-18(13)12(15)3/h4-9,17H,1-3H3
InChIKeyXYHHNAOEZQWVSK-UHFFFAOYSA-N
MW368.78 g/mol
LogP6.39
Rot. Bonds2

About 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene

7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene (PubChem CID 141097906) has the molecular formula C19H16ClF3O2 and a molecular weight of 368.78 g/mol. Its IUPAC name is 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
PubChem CID141097906
Molecular FormulaC19H16ClF3O2
Molecular Weight368.78 g/mol
Exact Mass368.08
IUPAC Name7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)c(Oc2ccc3c(c2C)OC(C(F)(F)F)C=C3)cc1C
InChIInChI=1S/C19H16ClF3O2/c1-10-8-14(20)16(9-11(10)2)24-15-6-4-13-5-7-17(19(21,22)23)25-18(13)12(15)3/h4-9,17H,1-3H3
InChIKeyXYHHNAOEZQWVSK-UHFFFAOYSA-N
XLogP6.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.78
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-fluoro-5-methylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 141098150
6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene
CID 141098122
(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 54411003
(2R)-2-(trifluoromethyl)-7-(2,3,5-trimethylphenoxy)-2H-chromene
CID 141098201
methyl 3-[4-[[6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]oxy]phenyl]propanoate
CID 141097858
6-chloro-7-(2-methoxy-4-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11327472
(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
CID 141004210
8-methyl-7-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934502
2-[6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromen-8-yl]propan-2-ol
CID 91394034
2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
CID 141098189
8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11211735
6-chloro-7-(2-chloro-4-ethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11177988

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene (CID 141097906) is 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene is Cc1cc(Cl)c(Oc2ccc3c(c2C)OC(C(F)(F)F)C=C3)cc1C.
What is the InChIKey of 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene?
The InChIKey is XYHHNAOEZQWVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3O2/c1-10-8-14(20)16(9-11(10)2)24-15-6-4-13-5-7-17(19(21,22)23)25-18(13)12(15)3/h4-9,17H,1-3H3.
What are the key properties of 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene?
7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene has a molecular weight of 368.78 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 141097906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).