2-propoxy-3,4-dihydrochromene-2-carboxylic acid

C13H16O4 — CID 150273044

IUPAC2-propoxy-3,4-dihydrochromene-2-carboxylic acid
SMILESCCCOC1(C(=O)O)CCc2ccccc2O1
InChIInChI=1S/C13H16O4/c1-2-9-16-13(12(14)15)8-7-10-5-3-4-6-11(10)17-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyGDYZBUGLSWFVBI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.22
Rot. Bonds4

About 2-propoxy-3,4-dihydrochromene-2-carboxylic acid

2-propoxy-3,4-dihydrochromene-2-carboxylic acid (PubChem CID 150273044) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-propoxy-3,4-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name2-propoxy-3,4-dihydrochromene-2-carboxylic acid
PubChem CID150273044
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-propoxy-3,4-dihydrochromene-2-carboxylic acid
SMILESCCCOC1(C(=O)O)CCc2ccccc2O1
InChIInChI=1S/C13H16O4/c1-2-9-16-13(12(14)15)8-7-10-5-3-4-6-11(10)17-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyGDYZBUGLSWFVBI-UHFFFAOYSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydrochromene-2,2-dicarboxylic acid
CID 67576895
3-(2-hydroxy-3,4-dihydrochromen-2-yl)propanoic acid
CID 67346634
(1a-propoxy-7H-oxireno[2,3-b]chromen-7a-yl) nitrate
CID 86748211
(2-phenylmethoxy-3,4-dihydrochromen-2-yl)methanol
CID 18005860
1-(2-propoxy-1,3-dihydroinden-2-yl)propan-1-one
CID 83226402
2-methoxy-2-methyl-3,4-dihydrochromene
CID 15054836
2-(bromomethyl)-3H-1-benzofuran-2-carboxylic acid
CID 66688048
2-methoxy-N-(4-morpholin-4-ylphenyl)-3,4-dihydrochromene-2-carboxamide
CID 143452474
2-(chloromethyl)-3,4-dihydrochromen-2-ol
CID 10307936
2-(2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethoxy)benzoic acid
CID 136552381
5-ethoxy-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 115590590
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3,4-dihydrochromene-2-carboxylic acid?
The IUPAC name of 2-propoxy-3,4-dihydrochromene-2-carboxylic acid (CID 150273044) is 2-propoxy-3,4-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for 2-propoxy-3,4-dihydrochromene-2-carboxylic acid?
The canonical SMILES for 2-propoxy-3,4-dihydrochromene-2-carboxylic acid is CCCOC1(C(=O)O)CCc2ccccc2O1.
What is the InChIKey of 2-propoxy-3,4-dihydrochromene-2-carboxylic acid?
The InChIKey is GDYZBUGLSWFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-2-9-16-13(12(14)15)8-7-10-5-3-4-6-11(10)17-13/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-propoxy-3,4-dihydrochromene-2-carboxylic acid?
2-propoxy-3,4-dihydrochromene-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3,4-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 150273044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).