4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid

C16H21NO4 — CID 79423243

IUPAC4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
SMILESO=C(O)C1(CCN2CCOCC2)CCOc2ccccc21
InChIInChI=1S/C16H21NO4/c18-15(19)16(5-7-17-8-11-20-12-9-17)6-10-21-14-4-2-1-3-13(14)16/h1-4H,5-12H2,(H,18,19)
InChIKeyMUJORVAVLITEAU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.51
Rot. Bonds4

About 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid

4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid (PubChem CID 79423243) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
PubChem CID79423243
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid
SMILESO=C(O)C1(CCN2CCOCC2)CCOc2ccccc21
InChIInChI=1S/C16H21NO4/c18-15(19)16(5-7-17-8-11-20-12-9-17)6-10-21-14-4-2-1-3-13(14)16/h1-4H,5-12H2,(H,18,19)
InChIKeyMUJORVAVLITEAU-UHFFFAOYSA-N
XLogP1.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid?
The IUPAC name of 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid (CID 79423243) is 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid.
What is the SMILES notation for 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid?
The canonical SMILES for 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid is O=C(O)C1(CCN2CCOCC2)CCOc2ccccc21.
What is the InChIKey of 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid?
The InChIKey is MUJORVAVLITEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(19)16(5-7-17-8-11-20-12-9-17)6-10-21-14-4-2-1-3-13(14)16/h1-4H,5-12H2,(H,18,19).
What are the key properties of 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid?
4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethyl)-2,3-dihydrochromene-4-carboxylic acid is sourced from PubChem (CID 79423243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).