2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid

C12H14O4 — CID 105478918

IUPAC2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2ccc(O)cc2C1
InChIInChI=1S/C12H14O4/c1-7(12(14)15)9-4-8-5-10(13)2-3-11(8)16-6-9/h2-3,5,7,9,13H,4,6H2,1H3,(H,14,15)
InChIKeyYUVBBELZQVIJGD-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.66
Rot. Bonds2

About 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid

2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid (PubChem CID 105478918) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
PubChem CID105478918
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
SMILESCC(C(=O)O)C1COc2ccc(O)cc2C1
InChIInChI=1S/C12H14O4/c1-7(12(14)15)9-4-8-5-10(13)2-3-11(8)16-6-9/h2-3,5,7,9,13H,4,6H2,1H3,(H,14,15)
InChIKeyYUVBBELZQVIJGD-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)acetate
CID 54031380
6-propan-2-yloxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 58164198
3-(diethylaminomethyl)-3,4-dihydro-2H-chromen-6-ol
CID 105496645
3-(5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)-2,2-dimethylpropanoic acid
CID 117201292
2-(5-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117201387
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 165461235
(2R)-3-[[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124693416
2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid
CID 106500416
3-[(cyclopropylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105474259
2-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-methylamino]propanoic acid
CID 119358196
3-propan-2-yl-2,4-dihydro-1,3-benzoxazin-6-ol
CID 121222831
3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene
CID 144757857

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
The IUPAC name of 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid (CID 105478918) is 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid.
What is the SMILES notation for 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
The canonical SMILES for 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid is CC(C(=O)O)C1COc2ccc(O)cc2C1.
What is the InChIKey of 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
The InChIKey is YUVBBELZQVIJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7(12(14)15)9-4-8-5-10(13)2-3-11(8)16-6-9/h2-3,5,7,9,13H,4,6H2,1H3,(H,14,15).
What are the key properties of 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid?
2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid is sourced from PubChem (CID 105478918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).