2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid

C18H13F3O5 — CID 142774404

IUPAC2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESCOc1ccccc1OC1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C18H13F3O5/c1-24-14-8-4-5-9-15(14)26-17(18(19,20)21)12(16(22)23)10-11-6-2-3-7-13(11)25-17/h2-10H,1H3,(H,22,23)
InChIKeyLWKUIOWNBBXFCK-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid

2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid (PubChem CID 142774404) has the molecular formula C18H13F3O5 and a molecular weight of 366.29 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
PubChem CID142774404
Molecular FormulaC18H13F3O5
Molecular Weight366.29 g/mol
Exact Mass366.07
IUPAC Name2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESCOc1ccccc1OC1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O
InChIInChI=1S/C18H13F3O5/c1-24-14-8-4-5-9-15(14)26-17(18(19,20)21)12(16(22)23)10-11-6-2-3-7-13(11)25-17/h2-10H,1H3,(H,22,23)
InChIKeyLWKUIOWNBBXFCK-UHFFFAOYSA-N
XLogP3.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
2-(2-chlorophenoxy)-2,7-bis(trifluoromethyl)chromene-3-carboxylic acid
CID 150310934
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774364
2-(2,2-dimethylpropylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098044
2-(3-methylphenyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774329
N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide
CID 10220496
ethyl 2-hydroxy-2-methylchromene-3-carboxylate
CID 102081434
2-phenyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098076
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
2-prop-1-ynyl-6-(trifluoromethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098084
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid (CID 142774404) is 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid is COc1ccccc1OC1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O.
What is the InChIKey of 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
The InChIKey is LWKUIOWNBBXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3O5/c1-24-14-8-4-5-9-15(14)26-17(18(19,20)21)12(16(22)23)10-11-6-2-3-7-13(11)25-17/h2-10H,1H3,(H,22,23).
What are the key properties of 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid?
2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid has a molecular weight of 366.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid is sourced from PubChem (CID 142774404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).