methyl 6-hydroxy-2H-chromene-3-carboxylate

C11H10O4 — CID 162712930

IUPACmethyl 6-hydroxy-2H-chromene-3-carboxylate
SMILESCOC(=O)C1=Cc2cc(O)ccc2OC1
InChIInChI=1S/C11H10O4/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5,12H,6H2,1H3
InChIKeyMBHBBNNPTFCVFD-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.34
Rot. Bonds1

About methyl 6-hydroxy-2H-chromene-3-carboxylate

methyl 6-hydroxy-2H-chromene-3-carboxylate (PubChem CID 162712930) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 6-hydroxy-2H-chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-hydroxy-2H-chromene-3-carboxylate
PubChem CID162712930
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Namemethyl 6-hydroxy-2H-chromene-3-carboxylate
SMILESCOC(=O)C1=Cc2cc(O)ccc2OC1
InChIInChI=1S/C11H10O4/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5,12H,6H2,1H3
InChIKeyMBHBBNNPTFCVFD-UHFFFAOYSA-N
XLogP1.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-methyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932854
methyl 7-bromo-2,3-dihydro-1-benzoxepine-4-carboxylate
CID 22990005
methyl 2-[(6-tert-butyl-2H-chromene-3-carbonyl)amino]benzoate
CID 139932940
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
1-(6-ethoxy-2H-chromen-3-yl)ethanone
CID 165453464
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
nitroso 6-propan-2-yloxy-2H-chromene-3-carboxylate
CID 174688984
1-(6-phenoxy-2H-chromen-3-yl)ethanone
CID 14971313
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)-methylamino]acetate
CID 43408851

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxy-2H-chromene-3-carboxylate?
The IUPAC name of methyl 6-hydroxy-2H-chromene-3-carboxylate (CID 162712930) is methyl 6-hydroxy-2H-chromene-3-carboxylate.
What is the SMILES notation for methyl 6-hydroxy-2H-chromene-3-carboxylate?
The canonical SMILES for methyl 6-hydroxy-2H-chromene-3-carboxylate is COC(=O)C1=Cc2cc(O)ccc2OC1.
What is the InChIKey of methyl 6-hydroxy-2H-chromene-3-carboxylate?
The InChIKey is MBHBBNNPTFCVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-14-11(13)8-4-7-5-9(12)2-3-10(7)15-6-8/h2-5,12H,6H2,1H3.
What are the key properties of methyl 6-hydroxy-2H-chromene-3-carboxylate?
methyl 6-hydroxy-2H-chromene-3-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxy-2H-chromene-3-carboxylate is sourced from PubChem (CID 162712930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).