ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate

C14H14O5 — CID 25259939

IUPACethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C)cc(OC)cc2o1
InChIInChI=1S/C14H14O5/c1-4-18-14(16)12-7-10(15)13-8(2)5-9(17-3)6-11(13)19-12/h5-7H,4H2,1-3H3
InChIKeyMJRLKBQYNBFPRY-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.29
Rot. Bonds3

About ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate

ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate (PubChem CID 25259939) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate
PubChem CID25259939
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Nameethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(C)cc(OC)cc2o1
InChIInChI=1S/C14H14O5/c1-4-18-14(16)12-7-10(15)13-8(2)5-9(17-3)6-11(13)19-12/h5-7H,4H2,1-3H3
InChIKeyMJRLKBQYNBFPRY-UHFFFAOYSA-N
XLogP2.29
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-5-methyl-2-(2-oxobutyl)chromen-4-one
CID 10923264
ethyl 7-(dimethylamino)-5-methoxy-4-oxochromene-2-carboxylate
CID 66600528
ethyl 6-chloro-5,7-dimethyl-4-oxochromene-2-carboxylate
CID 54082689
7-methoxy-5-methyl-2-(3-oxobutyl)chromen-4-one
CID 11747338
ethyl 7-ethyl-4-oxochromene-2-carboxylate
CID 22924455
ethyl 7-hydroxy-4-oxochromene-2-carboxylate
CID 5376802
ethyl 5-hydroxy-6-[[(2S)-oxiran-2-yl]methyl]-8-[[(2R)-oxiran-2-yl]methyl]-4-oxochromene-2-carboxylate
CID 6931801
ethyl 5-(4-methoxyphenyl)-4-oxopyran-2-carboxylate
CID 13277716
ethyl 7-iodo-4-oxochromene-2-carboxylate
CID 119089265
ethyl 6-amino-7-hydroxy-4-oxochromene-2-carboxylate
CID 5377214
ethyl 6-methoxy-4-oxo-8-(4-propan-2-ylpiperazin-1-yl)chromene-2-carboxylate
CID 68976143
ethyl 6-[5-(2-ethoxycarbonyl-4-oxochromen-6-yl)oxypentoxy]-4-oxochromene-2-carboxylate
CID 154133959

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate?
The IUPAC name of ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate (CID 25259939) is ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate?
The canonical SMILES for ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate is CCOC(=O)c1cc(=O)c2c(C)cc(OC)cc2o1.
What is the InChIKey of ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate?
The InChIKey is MJRLKBQYNBFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-4-18-14(16)12-7-10(15)13-8(2)5-9(17-3)6-11(13)19-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate?
ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-5-methyl-4-oxochromene-2-carboxylate is sourced from PubChem (CID 25259939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).