6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]

C13H16O2 — CID 141173693

IUPAC6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
SMILESCOc1ccc2c(c1)CCC1(CCC1)O2
InChIInChI=1S/C13H16O2/c1-14-11-3-4-12-10(9-11)5-8-13(15-12)6-2-7-13/h3-4,9H,2,5-8H2,1H3
InChIKeyDYRFQHREFWLROE-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.94
Rot. Bonds1

About 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]

6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane] (PubChem CID 141173693) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane].

Molecular Properties

Compound Name6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
PubChem CID141173693
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
SMILESCOc1ccc2c(c1)CCC1(CCC1)O2
InChIInChI=1S/C13H16O2/c1-14-11-3-4-12-10(9-11)5-8-13(15-12)6-2-7-13/h3-4,9H,2,5-8H2,1H3
InChIKeyDYRFQHREFWLROE-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]?
The IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane] (CID 141173693) is 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane].
What is the SMILES notation for 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]?
The canonical SMILES for 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane] is COc1ccc2c(c1)CCC1(CCC1)O2.
What is the InChIKey of 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]?
The InChIKey is DYRFQHREFWLROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-14-11-3-4-12-10(9-11)5-8-13(15-12)6-2-7-13/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]?
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane] has a molecular weight of 204.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane] is sourced from PubChem (CID 141173693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).