8-methoxy-2H-chromene-3-carboxylate

C11H9O4- — CID 6933959

IUPAC8-methoxy-2H-chromene-3-carboxylate
SMILESCOc1cccc2c1OCC(C(=O)[O-])=C2
InChIInChI=1S/C11H10O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-5H,6H2,1H3,(H,12,13)/p-1
InChIKeyVAOZSTIKIWWEDB-UHFFFAOYSA-M
MW205.19 g/mol
LogP0.22
Rot. Bonds2

About 8-methoxy-2H-chromene-3-carboxylate

8-methoxy-2H-chromene-3-carboxylate (PubChem CID 6933959) has the molecular formula C11H9O4- and a molecular weight of 205.19 g/mol. Its IUPAC name is 8-methoxy-2H-chromene-3-carboxylate.

Molecular Properties

Compound Name8-methoxy-2H-chromene-3-carboxylate
PubChem CID6933959
Molecular FormulaC11H9O4-
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name8-methoxy-2H-chromene-3-carboxylate
SMILESCOc1cccc2c1OCC(C(=O)[O-])=C2
InChIInChI=1S/C11H10O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-5H,6H2,1H3,(H,12,13)/p-1
InChIKeyVAOZSTIKIWWEDB-UHFFFAOYSA-M
XLogP0.22
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113812
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone
CID 120658310
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 120658309
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119188807
8-methoxy-N-(2-pyrrolidin-3-ylethyl)-2H-chromene-3-carboxamide
CID 119533955
N-[1-(aminomethyl)cyclopentyl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119565259

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2H-chromene-3-carboxylate?
The IUPAC name of 8-methoxy-2H-chromene-3-carboxylate (CID 6933959) is 8-methoxy-2H-chromene-3-carboxylate.
What is the SMILES notation for 8-methoxy-2H-chromene-3-carboxylate?
The canonical SMILES for 8-methoxy-2H-chromene-3-carboxylate is COc1cccc2c1OCC(C(=O)[O-])=C2.
What is the InChIKey of 8-methoxy-2H-chromene-3-carboxylate?
The InChIKey is VAOZSTIKIWWEDB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O4/c1-14-9-4-2-3-7-5-8(11(12)13)6-15-10(7)9/h2-5H,6H2,1H3,(H,12,13)/p-1.
What are the key properties of 8-methoxy-2H-chromene-3-carboxylate?
8-methoxy-2H-chromene-3-carboxylate has a molecular weight of 205.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2H-chromene-3-carboxylate is sourced from PubChem (CID 6933959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).