5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid

C15H14O5 — CID 106947406

IUPAC5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)C2COc3ccccc3C2)o1
InChIInChI=1S/C15H14O5/c16-14(12-5-6-13(20-12)15(17)18)10-7-9-3-1-2-4-11(9)19-8-10/h1-6,10,14,16H,7-8H2,(H,17,18)
InChIKeyUDHXPBUXQVXDIU-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.26
Rot. Bonds3

About 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid

5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid (PubChem CID 106947406) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid
PubChem CID106947406
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)C2COc3ccccc3C2)o1
InChIInChI=1S/C15H14O5/c16-14(12-5-6-13(20-12)15(17)18)10-7-9-3-1-2-4-11(9)19-8-10/h1-6,10,14,16H,7-8H2,(H,17,18)
InChIKeyUDHXPBUXQVXDIU-UHFFFAOYSA-N
XLogP2.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-yl-(3,4-dimethylphenyl)methanol
CID 65412330
3,4-dihydro-2H-chromen-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65411549
3,4-dihydro-2H-chromen-3-yl(pyridin-3-yl)methanol
CID 65412130
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
3,4-dihydro-2H-chromen-3-yl-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106881075
2-(3,5-difluorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 105405677
2,3-dihydro-1-benzofuran-7-yl(3,4-dihydro-2H-chromen-3-yl)methanol
CID 114744588
5-[(4,4-difluorocyclohexyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947412
1-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenyl)ethanol
CID 65410770
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanol
CID 107308167

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid (CID 106947406) is 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(C(O)C2COc3ccccc3C2)o1.
What is the InChIKey of 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid?
The InChIKey is UDHXPBUXQVXDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c16-14(12-5-6-13(20-12)15(17)18)10-7-9-3-1-2-4-11(9)19-8-10/h1-6,10,14,16H,7-8H2,(H,17,18).
What are the key properties of 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid?
5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-dihydro-2H-chromen-3-yl(hydroxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 106947406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).