6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate

C10H9O4- — CID 21283842

IUPAC6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
SMILESO=C([O-])C1CCc2cc(O)ccc2O1
InChIInChI=1S/C10H10O4/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9,11H,1,3H2,(H,12,13)/p-1
InChIKeyOEPFJOJFTVSOOI-UHFFFAOYSA-M
MW193.18 g/mol
LogP-0.16
Rot. Bonds1

About 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate

6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 21283842) has the molecular formula C10H9O4- and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Name6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID21283842
Molecular FormulaC10H9O4-
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
SMILESO=C([O-])C1CCc2cc(O)ccc2O1
InChIInChI=1S/C10H10O4/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9,11H,1,3H2,(H,12,13)/p-1
InChIKeyOEPFJOJFTVSOOI-UHFFFAOYSA-M
XLogP-0.16
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 18005850
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695
(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
2-phenyl-3,4-dihydro-2H-chromen-6-ol;zinc
CID 160688399
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 102567999
ethane;(2R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-ol;2-methylpropane
CID 142956929
ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 143613113
1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
CID 71249247
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-6-ol
CID 71292959
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
CID 143613083

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate (CID 21283842) is 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate is O=C([O-])C1CCc2cc(O)ccc2O1.
What is the InChIKey of 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is OEPFJOJFTVSOOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O4/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9,11H,1,3H2,(H,12,13)/p-1.
What are the key properties of 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate?
6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 193.18 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 21283842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).