ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate

C18H14O5 — CID 23286075

IUPACethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
SMILESCCOC(=O)c1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
InChIInChI=1S/C18H14O5/c1-2-22-18(21)12-8-9-14-13(10-12)15(19)16(20)17(23-14)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3
InChIKeyJYSIVKFGXLZOGC-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.34
Rot. Bonds3

About ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate

ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate (PubChem CID 23286075) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
PubChem CID23286075
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Nameethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
SMILESCCOC(=O)c1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
InChIInChI=1S/C18H14O5/c1-2-22-18(21)12-8-9-14-13(10-12)15(19)16(20)17(23-14)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3
InChIKeyJYSIVKFGXLZOGC-UHFFFAOYSA-N
XLogP3.34
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-nitro-4-oxo-2-phenylchromene-3-carboxylate
CID 132514498
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
6-acetyl-3-ethyl-2-phenylchromen-4-one
CID 13308875
ethyl 2-methyl-4-oxochromene-6-carboxylate
CID 15939970
3-(3-hydroxy-4-oxo-2-phenylchromen-6-yl)-3-methylbutanoic acid
CID 139983088
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-ethyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134868020
ethyl 2-phenyl-5-(2-sulfanylideneethanethioyl)oxy-1-benzofuran-3-carboxylate
CID 87539661
ethyl 5-(3-ethoxy-1-hydroxy-3-oxopropyl)-9-oxoxanthene-2-carboxylate
CID 67784624

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate?
The IUPAC name of ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate (CID 23286075) is ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate is CCOC(=O)c1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1.
What is the InChIKey of ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate?
The InChIKey is JYSIVKFGXLZOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-2-22-18(21)12-8-9-14-13(10-12)15(19)16(20)17(23-14)11-6-4-3-5-7-11/h3-10,20H,2H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate?
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate is sourced from PubChem (CID 23286075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).