ethyl 2-hydroxy-2-methylchromene-3-carboxylate

C13H14O4 — CID 102081434

IUPACethyl 2-hydroxy-2-methylchromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2OC1(C)O
InChIInChI=1S/C13H14O4/c1-3-16-12(14)10-8-9-6-4-5-7-11(9)17-13(10,2)15/h4-8,15H,3H2,1-2H3
InChIKeyYBIBYBWRNWHXFF-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.73
Rot. Bonds2

About ethyl 2-hydroxy-2-methylchromene-3-carboxylate

ethyl 2-hydroxy-2-methylchromene-3-carboxylate (PubChem CID 102081434) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-methylchromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-methylchromene-3-carboxylate
PubChem CID102081434
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Nameethyl 2-hydroxy-2-methylchromene-3-carboxylate
SMILESCCOC(=O)C1=Cc2ccccc2OC1(C)O
InChIInChI=1S/C13H14O4/c1-3-16-12(14)10-8-9-6-4-5-7-11(9)17-13(10,2)15/h4-8,15H,3H2,1-2H3
InChIKeyYBIBYBWRNWHXFF-UHFFFAOYSA-N
XLogP1.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate
CID 151697551
ethyl (2S)-2-propoxy-2-(trifluoromethyl)chromene-3-carboxylate
CID 99992666
ethyl 3-hydroxy-2-methylchromene-2-carboxylate
CID 151498146
1-(2-methoxy-2-methylchromen-3-yl)ethanone
CID 102125757
ethyl 8-chloro-2,2-difluorochromene-3-carboxylate
CID 102225584
ethyl 2,2-difluoro-6-methoxychromene-3-carboxylate
CID 102225579
ethyl 2-(trifluoromethyl)-2-[[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]chromene-3-carboxylate
CID 90671519
2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
ethyl 3-(hydroxymethyl)-2H-chromene-2-carboxylate
CID 67521184
ethyl benzoate;toluene
CID 23150750
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 1H-indene-2-carboxylate
CID 15378309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-methylchromene-3-carboxylate?
The IUPAC name of ethyl 2-hydroxy-2-methylchromene-3-carboxylate (CID 102081434) is ethyl 2-hydroxy-2-methylchromene-3-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-2-methylchromene-3-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-2-methylchromene-3-carboxylate is CCOC(=O)C1=Cc2ccccc2OC1(C)O.
What is the InChIKey of ethyl 2-hydroxy-2-methylchromene-3-carboxylate?
The InChIKey is YBIBYBWRNWHXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-3-16-12(14)10-8-9-6-4-5-7-11(9)17-13(10,2)15/h4-8,15H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-methylchromene-3-carboxylate?
ethyl 2-hydroxy-2-methylchromene-3-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-methylchromene-3-carboxylate is sourced from PubChem (CID 102081434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).