7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid

C13H14O4 — CID 105494118

IUPAC7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)OCCC21CC1C(=O)O
InChIInChI=1S/C13H14O4/c1-16-8-2-3-9-11(6-8)17-5-4-13(9)7-10(13)12(14)15/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)
InChIKeyKTVBWJOPMKWBFZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.82
Rot. Bonds2

About 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid

7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 105494118) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
PubChem CID105494118
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)OCCC21CC1C(=O)O
InChIInChI=1S/C13H14O4/c1-16-8-2-3-9-11(6-8)17-5-4-13(9)7-10(13)12(14)15/h2-3,6,10H,4-5,7H2,1H3,(H,14,15)
InChIKeyKTVBWJOPMKWBFZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid (CID 105494118) is 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid is COc1ccc2c(c1)OCCC21CC1C(=O)O.
What is the InChIKey of 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is KTVBWJOPMKWBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-16-8-2-3-9-11(6-8)17-5-4-13(9)7-10(13)12(14)15/h2-3,6,10H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 105494118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).