2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid

C17H11F3O4 — CID 142774321

IUPAC2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C17H11F3O4/c18-17(19,20)16(11-5-7-12(21)8-6-11)13(15(22)23)9-10-3-1-2-4-14(10)24-16/h1-9,21H,(H,22,23)
InChIKeyVCMKIUYISHCXJG-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid

2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid (PubChem CID 142774321) has the molecular formula C17H11F3O4 and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
PubChem CID142774321
Molecular FormulaC17H11F3O4
Molecular Weight336.26 g/mol
Exact Mass336.06
IUPAC Name2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C17H11F3O4/c18-17(19,20)16(11-5-7-12(21)8-6-11)13(15(22)23)9-10-3-1-2-4-14(10)24-16/h1-9,21H,(H,22,23)
InChIKeyVCMKIUYISHCXJG-UHFFFAOYSA-N
XLogP3.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfanylphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774341
2-(3-methylphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774329
2-phenyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098076
2-(1,2,2-trifluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 174486877
2-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 154448945
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774364
2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
2-(4-chlorophenyl)-7-methoxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774332
2-(2,2-dimethylpropylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098044
(2S)-2-(2-methoxyethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 99992703
2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774404
2-(3-methylbutylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141097825

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid (CID 142774321) is 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid is O=C(O)C1=Cc2ccccc2OC1(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The InChIKey is VCMKIUYISHCXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3O4/c18-17(19,20)16(11-5-7-12(21)8-6-11)13(15(22)23)9-10-3-1-2-4-14(10)24-16/h1-9,21H,(H,22,23).
What are the key properties of 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid?
2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid has a molecular weight of 336.26 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid is sourced from PubChem (CID 142774321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).