(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate

C19H15ClO5 — CID 8877344

IUPAC(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate
SMILESCCOc1ccccc1COC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C19H15ClO5/c1-2-23-16-6-4-3-5-12(16)11-24-19(22)18-10-15(21)14-9-13(20)7-8-17(14)25-18/h3-10H,2,11H2,1H3
InChIKeyOWNVLIPTLBASFE-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.20
Rot. Bonds5

About (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate

(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate (PubChem CID 8877344) has the molecular formula C19H15ClO5 and a molecular weight of 358.78 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate
PubChem CID8877344
Molecular FormulaC19H15ClO5
Molecular Weight358.78 g/mol
Exact Mass358.06
IUPAC Name(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate
SMILESCCOc1ccccc1COC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C19H15ClO5/c1-2-23-16-6-4-3-5-12(16)11-24-19(22)18-10-15(21)14-9-13(20)7-8-17(14)25-18/h3-10H,2,11H2,1H3
InChIKeyOWNVLIPTLBASFE-UHFFFAOYSA-N
XLogP4.20
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)ethyl 6-chloro-4-oxochromene-2-carboxylate
CID 8876387
[2-oxo-2-(pentylamino)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541109
(2-chloroquinolin-3-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
CID 8730847
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877254
[2-(2-ethoxyanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728814
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8876830
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 9310224
(3-amino-5-chloro-1-benzofuran-2-yl)-(2-ethoxyphenyl)methanone
CID 58707366
(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 6-chloro-4-oxochromene-2-carboxylate
CID 9310285
[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877430
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877631
[2-(azocan-1-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541005

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate?
The IUPAC name of (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate (CID 8877344) is (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate.
What is the SMILES notation for (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate?
The canonical SMILES for (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate is CCOc1ccccc1COC(=O)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate?
The InChIKey is OWNVLIPTLBASFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO5/c1-2-23-16-6-4-3-5-12(16)11-24-19(22)18-10-15(21)14-9-13(20)7-8-17(14)25-18/h3-10H,2,11H2,1H3.
What are the key properties of (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate?
(2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate has a molecular weight of 358.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl 6-chloro-4-oxochromene-2-carboxylate is sourced from PubChem (CID 8877344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).