methyl 8-hydroxy-2-oxochromene-3-carboxylate

C11H8O5 — CID 121222040

IUPACmethyl 8-hydroxy-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C11H8O5/c1-15-10(13)7-5-6-3-2-4-8(12)9(6)16-11(7)14/h2-5,12H,1H3
InChIKeyJLEQALBIOXHUTC-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.29
Rot. Bonds1

About methyl 8-hydroxy-2-oxochromene-3-carboxylate

methyl 8-hydroxy-2-oxochromene-3-carboxylate (PubChem CID 121222040) has the molecular formula C11H8O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is methyl 8-hydroxy-2-oxochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-hydroxy-2-oxochromene-3-carboxylate
PubChem CID121222040
Molecular FormulaC11H8O5
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Namemethyl 8-hydroxy-2-oxochromene-3-carboxylate
SMILESCOC(=O)c1cc2cccc(O)c2oc1=O
InChIInChI=1S/C11H8O5/c1-15-10(13)7-5-6-3-2-4-8(12)9(6)16-11(7)14/h2-5,12H,1H3
InChIKeyJLEQALBIOXHUTC-UHFFFAOYSA-N
XLogP1.29
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 8-methyl-2-oxothieno[2,3-h]chromene-3-carboxylate
CID 12641050
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
ethyl 8-bromo-2-oxochromene-3-carboxylate
CID 118281896
(4-fluorophenyl) 8-methoxy-2-oxochromene-3-carboxylate
CID 1264861
methyl 7-methyl-2-oxochromene-3-carboxylate
CID 142114128
ethane;8-hydroxy-3-sulfanylchromen-2-one
CID 142599508
3-acetyl-8-ethoxychromen-2-one
CID 3266617
methyl 2-carbonochloridoyl-1-benzofuran-7-carboxylate
CID 121302859
8-hydroxy-3-sulfanylchromen-2-one
CID 130034875
ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate
CID 11587162
8-methoxy-2-oxochromene-3-carboxamide;methylthiourea
CID 21235892

Frequently Asked Questions

What is the IUPAC name of methyl 8-hydroxy-2-oxochromene-3-carboxylate?
The IUPAC name of methyl 8-hydroxy-2-oxochromene-3-carboxylate (CID 121222040) is methyl 8-hydroxy-2-oxochromene-3-carboxylate.
What is the SMILES notation for methyl 8-hydroxy-2-oxochromene-3-carboxylate?
The canonical SMILES for methyl 8-hydroxy-2-oxochromene-3-carboxylate is COC(=O)c1cc2cccc(O)c2oc1=O.
What is the InChIKey of methyl 8-hydroxy-2-oxochromene-3-carboxylate?
The InChIKey is JLEQALBIOXHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O5/c1-15-10(13)7-5-6-3-2-4-8(12)9(6)16-11(7)14/h2-5,12H,1H3.
What are the key properties of methyl 8-hydroxy-2-oxochromene-3-carboxylate?
methyl 8-hydroxy-2-oxochromene-3-carboxylate has a molecular weight of 220.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-hydroxy-2-oxochromene-3-carboxylate is sourced from PubChem (CID 121222040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).