8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid

C13H14O3 — CID 105472206

IUPAC8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCc1cccc2c1OCCC21CC1C(=O)O
InChIInChI=1S/C13H14O3/c1-8-3-2-4-9-11(8)16-6-5-13(9)7-10(13)12(14)15/h2-4,10H,5-7H2,1H3,(H,14,15)
InChIKeyTUTDOWPYZCNRLD-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.12
Rot. Bonds1

About 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid

8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 105472206) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
PubChem CID105472206
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
SMILESCc1cccc2c1OCCC21CC1C(=O)O
InChIInChI=1S/C13H14O3/c1-8-3-2-4-9-11(8)16-6-5-13(9)7-10(13)12(14)15/h2-4,10H,5-7H2,1H3,(H,14,15)
InChIKeyTUTDOWPYZCNRLD-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid (CID 105472206) is 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid is Cc1cccc2c1OCCC21CC1C(=O)O.
What is the InChIKey of 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is TUTDOWPYZCNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-8-3-2-4-9-11(8)16-6-5-13(9)7-10(13)12(14)15/h2-4,10H,5-7H2,1H3,(H,14,15).
What are the key properties of 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid?
8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylspiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 105472206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).