ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate

C16H14O5 — CID 14376499

IUPACethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate
SMILESCCOC(=O)C1(O)CC(=O)c2cc3ccccc3cc2O1
InChIInChI=1S/C16H14O5/c1-2-20-15(18)16(19)9-13(17)12-7-10-5-3-4-6-11(10)8-14(12)21-16/h3-8,19H,2,9H2,1H3
InChIKeyTTYBPWSKVCBADU-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.06
Rot. Bonds2

About ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate

ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate (PubChem CID 14376499) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate
PubChem CID14376499
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Nameethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate
SMILESCCOC(=O)C1(O)CC(=O)c2cc3ccccc3cc2O1
InChIInChI=1S/C16H14O5/c1-2-20-15(18)16(19)9-13(17)12-7-10-5-3-4-6-11(10)8-14(12)21-16/h3-8,19H,2,9H2,1H3
InChIKeyTTYBPWSKVCBADU-UHFFFAOYSA-N
XLogP2.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-hydroxy-4-oxo-3H-chromene-2-carboxylate
CID 7443223
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ethyl 4-oxo-7-phenylspiro[3H-chromene-2,4'-cyclohexane]-1'-carboxylate
CID 59898622
ethyl 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetate
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anthracene;ethyl carbamate
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ethyl 5-ethyl-3-naphthalen-2-yl-4H-1,2-oxazole-5-carboxylate
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ethyl 9-hydroxyfluorene-9-carboxylate
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ethyl benzo[g][1,4]benzodioxine-3-carboxylate
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ethyl 7-acetamido-14,21-dioxopentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),10,12,15,17,19-octaene-7-carboxylate
CID 101344531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate?
The IUPAC name of ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate (CID 14376499) is ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate is CCOC(=O)C1(O)CC(=O)c2cc3ccccc3cc2O1.
What is the InChIKey of ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate?
The InChIKey is TTYBPWSKVCBADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-2-20-15(18)16(19)9-13(17)12-7-10-5-3-4-6-11(10)8-14(12)21-16/h3-8,19H,2,9H2,1H3.
What are the key properties of ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate?
ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-oxo-3H-benzo[g]chromene-2-carboxylate is sourced from PubChem (CID 14376499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).