ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate

C19H14Cl2O5 — CID 19204595

IUPACethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OCc3c(Cl)cccc3Cl)cc2oc1=O
InChIInChI=1S/C19H14Cl2O5/c1-2-24-18(22)13-8-11-6-7-12(9-17(11)26-19(13)23)25-10-14-15(20)4-3-5-16(14)21/h3-9H,2,10H2,1H3
InChIKeyMFGXKRHWGLTTBL-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.86
Rot. Bonds5

About ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate

ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate (PubChem CID 19204595) has the molecular formula C19H14Cl2O5 and a molecular weight of 393.22 g/mol. Its IUPAC name is ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate
PubChem CID19204595
Molecular FormulaC19H14Cl2O5
Molecular Weight393.22 g/mol
Exact Mass392.02
IUPAC Nameethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OCc3c(Cl)cccc3Cl)cc2oc1=O
InChIInChI=1S/C19H14Cl2O5/c1-2-24-18(22)13-8-11-6-7-12(9-17(11)26-19(13)23)25-10-14-15(20)4-3-5-16(14)21/h3-9H,2,10H2,1H3
InChIKeyMFGXKRHWGLTTBL-UHFFFAOYSA-N
XLogP4.86
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

ethyl 7-(3-chloropropoxy)-2-oxochromene-3-carboxylate
CID 168865434
ethyl 7-[2-(4-chlorophenoxy)acetyl]oxy-2-oxochromene-3-carboxylate
CID 19179575
ethyl 7-acetyloxy-2-oxochromene-3-carboxylate
CID 688600
ethyl 7-(1-benzofuran-2-carbonyloxy)-2-oxochromene-3-carboxylate
CID 19189332
ethyl 2-oxo-7-[2-(4-phenylphenoxy)acetyl]oxychromene-3-carboxylate
CID 19180001
ethyl 6-chloro-2-oxo-7-phenylmethoxychromene-3-carboxylate
CID 46838320
ethyl 7-[2-(2-bromo-4-methylphenoxy)acetyl]oxy-2-oxochromene-3-carboxylate
CID 19179984
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
ethyl 2-oxo-7-(3,4,5-triethoxybenzoyl)oxychromene-3-carboxylate
CID 19181570
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262992
ethyl 7-(4-methylphenyl)-2-oxochromene-3-carboxylate
CID 50994673
ethyl 7-(3,4-dimethoxybenzoyl)oxy-2-oxochromene-3-carboxylate
CID 19181559

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate?
The IUPAC name of ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate (CID 19204595) is ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate.
What is the SMILES notation for ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate?
The canonical SMILES for ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate is CCOC(=O)c1cc2ccc(OCc3c(Cl)cccc3Cl)cc2oc1=O.
What is the InChIKey of ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate?
The InChIKey is MFGXKRHWGLTTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O5/c1-2-24-18(22)13-8-11-6-7-12(9-17(11)26-19(13)23)25-10-14-15(20)4-3-5-16(14)21/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate?
ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate has a molecular weight of 393.22 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(2,6-dichlorophenyl)methoxy]-2-oxochromene-3-carboxylate is sourced from PubChem (CID 19204595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).