8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

C22H15F3O4 — CID 11211735

IUPAC8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1c(Oc2ccc3ccccc3c2)ccc2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C22H15F3O4/c1-12-18(28-16-8-6-13-4-2-3-5-14(13)10-16)9-7-15-11-17(21(26)27)20(22(23,24)25)29-19(12)15/h2-11,20H,1H3,(H,26,27)
InChIKeySIATWDVLMKZXFS-UHFFFAOYSA-N
MW400.35 g/mol
LogP5.73
Rot. Bonds3

About 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (PubChem CID 11211735) has the molecular formula C22H15F3O4 and a molecular weight of 400.35 g/mol. Its IUPAC name is 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
PubChem CID11211735
Molecular FormulaC22H15F3O4
Molecular Weight400.35 g/mol
Exact Mass400.09
IUPAC Name8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
SMILESCc1c(Oc2ccc3ccccc3c2)ccc2c1OC(C(F)(F)F)C(C(=O)O)=C2
InChIInChI=1S/C22H15F3O4/c1-12-18(28-16-8-6-13-4-2-3-5-14(13)10-16)9-7-15-11-17(21(26)27)20(22(23,24)25)29-19(12)15/h2-11,20H,1H3,(H,26,27)
InChIKeySIATWDVLMKZXFS-UHFFFAOYSA-N
XLogP5.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.35
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-7-phenoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934502
(2S)-7-(2,5-dimethylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934688
(2S)-2-(trifluoromethyl)-2H-benzo[g]chromene-3-carboxylic acid
CID 54085707
(2S)-6-(4-methoxyphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 54486081
(2R)-7-methoxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 124673363
2-(2-fluoropropan-2-yl)-7,8-dimethyl-2H-chromene-3-carboxylic acid
CID 143004395
7-(2-ethoxy-4-formylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 87889434
7-(2-fluoro-4-nitrophenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 58934550
8-ethyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid pentafluoride
CID 159983159
8-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 52942642
6-chloro-8-(2-methoxyphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 174366672
8-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
CID 150577967

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The IUPAC name of 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (CID 11211735) is 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The canonical SMILES for 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is Cc1c(Oc2ccc3ccccc3c2)ccc2c1OC(C(F)(F)F)C(C(=O)O)=C2.
What is the InChIKey of 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
The InChIKey is SIATWDVLMKZXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3O4/c1-12-18(28-16-8-6-13-4-2-3-5-14(13)10-16)9-7-15-11-17(21(26)27)20(22(23,24)25)29-19(12)15/h2-11,20H,1H3,(H,26,27).
What are the key properties of 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid?
8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid has a molecular weight of 400.35 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-naphthalen-2-yloxy-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11211735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).