3-(2,2-dimethylchromen-6-yl)propanoic acid

C14H16O3 — CID 84795340

IUPAC3-(2,2-dimethylchromen-6-yl)propanoic acid
SMILESCC1(C)C=Cc2cc(CCC(=O)O)ccc2O1
InChIInChI=1S/C14H16O3/c1-14(2)8-7-11-9-10(4-6-13(15)16)3-5-12(11)17-14/h3,5,7-9H,4,6H2,1-2H3,(H,15,16)
InChIKeyWLOOBEUSACFCJB-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.89
Rot. Bonds3

About 3-(2,2-dimethylchromen-6-yl)propanoic acid

3-(2,2-dimethylchromen-6-yl)propanoic acid (PubChem CID 84795340) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(2,2-dimethylchromen-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,2-dimethylchromen-6-yl)propanoic acid
PubChem CID84795340
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name3-(2,2-dimethylchromen-6-yl)propanoic acid
SMILESCC1(C)C=Cc2cc(CCC(=O)O)ccc2O1
InChIInChI=1S/C14H16O3/c1-14(2)8-7-11-9-10(4-6-13(15)16)3-5-12(11)17-14/h3,5,7-9H,4,6H2,1-2H3,(H,15,16)
InChIKeyWLOOBEUSACFCJB-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,2-dimethylchromen-6-yl)ethyl]propan-2-amine;hydrochloride
CID 46918543
3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82392727
(E)-3-(2,2-dimethylchromen-6-yl)prop-2-enoic acid
CID 10513634
(2,2-dimethylchromen-6-yl) 3-methylbutanoate
CID 174537350
3-[(2,2-dimethylchromen-6-yl)methyl]-4-(4-hydroxyphenyl)pyrrole-2,5-dione
CID 146684423
2,2-dimethyl-6-methylsulfonylchromene
CID 14210386
2-(2,2-dimethylchromen-6-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 69059759
6-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanoic acid
CID 118649631
7-(2,2-dimethyl-1,3-benzodioxol-5-yl)heptanoic acid
CID 118649626
(1R,2S)-1-(2,2-dimethylchromen-6-yl)propane-1,2-diol
CID 146682719
N-[(3-methoxy-4-methylphenyl)methyl]-2,2-dimethylchromene-6-carboxamide
CID 118199581
(3,4-dimethoxy-5-methylphenyl)methyl 2,2-dimethylchromene-6-carboxylate
CID 59769762

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylchromen-6-yl)propanoic acid?
The IUPAC name of 3-(2,2-dimethylchromen-6-yl)propanoic acid (CID 84795340) is 3-(2,2-dimethylchromen-6-yl)propanoic acid.
What is the SMILES notation for 3-(2,2-dimethylchromen-6-yl)propanoic acid?
The canonical SMILES for 3-(2,2-dimethylchromen-6-yl)propanoic acid is CC1(C)C=Cc2cc(CCC(=O)O)ccc2O1.
What is the InChIKey of 3-(2,2-dimethylchromen-6-yl)propanoic acid?
The InChIKey is WLOOBEUSACFCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-14(2)8-7-11-9-10(4-6-13(15)16)3-5-12(11)17-14/h3,5,7-9H,4,6H2,1-2H3,(H,15,16).
What are the key properties of 3-(2,2-dimethylchromen-6-yl)propanoic acid?
3-(2,2-dimethylchromen-6-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylchromen-6-yl)propanoic acid is sourced from PubChem (CID 84795340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).