2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid

C15H18O4 — CID 116872070

IUPAC2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc3c(c2)CCCO3)COC1
InChIInChI=1S/C15H18O4/c1-10(14(16)17)15(8-18-9-15)12-4-5-13-11(7-12)3-2-6-19-13/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyGOOLTIVAGGKXLZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.00
Rot. Bonds3

About 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid

2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid (PubChem CID 116872070) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
PubChem CID116872070
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc3c(c2)CCCO3)COC1
InChIInChI=1S/C15H18O4/c1-10(14(16)17)15(8-18-9-15)12-4-5-13-11(7-12)3-2-6-19-13/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyGOOLTIVAGGKXLZ-UHFFFAOYSA-N
XLogP2.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-oxopropanoic acid
CID 116918231
4-(3,4-dihydro-2H-chromen-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500042
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
2-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-1-ylacetic acid
CID 82485168
1-(3,4-dihydro-2H-chromen-6-yl)cyclopropane-1,2-dicarboxylic acid
CID 116858003
4-(3,4-dihydro-2H-chromen-6-ylamino)-2-methylbutanoic acid
CID 115220543
1-(3,4-dihydro-2H-chromen-6-yl)-N'-methylcyclopropane-1-carbohydrazide
CID 116847341
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
CID 116869677
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
lithium;carbon dioxide;1-(3,4-dihydro-2H-chromen-6-yl)cyclopropan-1-ol;6-(1-methylcyclopropyl)-3,4-dihydro-2H-chromene;hydroxide
CID 159329974
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid?
The IUPAC name of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid (CID 116872070) is 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid.
What is the SMILES notation for 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid?
The canonical SMILES for 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid is CC(C(=O)O)C1(c2ccc3c(c2)CCCO3)COC1.
What is the InChIKey of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid?
The InChIKey is GOOLTIVAGGKXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-10(14(16)17)15(8-18-9-15)12-4-5-13-11(7-12)3-2-6-19-13/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid?
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116872070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).