6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene

C18H13Cl2F3O2 — CID 141098122

IUPAC6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)c(Oc2c(Cl)ccc3c2C=CC(C(F)(F)F)O3)cc1C
InChIInChI=1S/C18H13Cl2F3O2/c1-9-7-13(20)15(8-10(9)2)25-17-11-3-6-16(18(21,22)23)24-14(11)5-4-12(17)19/h3-8,16H,1-2H3
InChIKeyYNPOGYKFHYLIDF-UHFFFAOYSA-N
MW389.20 g/mol
LogP6.74
Rot. Bonds2

About 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene

6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene (PubChem CID 141098122) has the molecular formula C18H13Cl2F3O2 and a molecular weight of 389.20 g/mol. Its IUPAC name is 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene
PubChem CID141098122
Molecular FormulaC18H13Cl2F3O2
Molecular Weight389.20 g/mol
Exact Mass388.02
IUPAC Name6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene
SMILESCc1cc(Cl)c(Oc2c(Cl)ccc3c2C=CC(C(F)(F)F)O3)cc1C
InChIInChI=1S/C18H13Cl2F3O2/c1-9-7-13(20)15(8-10(9)2)25-17-11-3-6-16(18(21,22)23)24-14(11)5-4-12(17)19/h3-8,16H,1-2H3
InChIKeyYNPOGYKFHYLIDF-UHFFFAOYSA-N
XLogP6.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.20
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-chloro-4,5-dimethylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 141097906
(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
(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene
CID 141004210
6-chloro-7-iodo-2-(trifluoromethyl)-2H-chromene
CID 139923507
(2S)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 54411003
6-chloro-7-(2,4-dichloro-6-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 11430936
7-(2-fluoro-5-methylphenoxy)-8-methyl-2-(trifluoromethyl)-2H-chromene
CID 141098150
2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
CID 141098189
ethyl 6-chloro-5-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylate
CID 58934759
sodium;6-chloro-5-(3-chlorophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid;hydride
CID 174500720
1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene (CID 141098122) is 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene is Cc1cc(Cl)c(Oc2c(Cl)ccc3c2C=CC(C(F)(F)F)O3)cc1C.
What is the InChIKey of 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene?
The InChIKey is YNPOGYKFHYLIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3O2/c1-9-7-13(20)15(8-10(9)2)25-17-11-3-6-16(18(21,22)23)24-14(11)5-4-12(17)19/h3-8,16H,1-2H3.
What are the key properties of 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene?
6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene has a molecular weight of 389.20 g/mol, XLogP of 6.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-chloro-4,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 141098122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).