7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene

C15H20O3 — CID 14427467

IUPAC7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
SMILESCOc1cc2c(cc1C(C)OC)C=CC(C)(C)O2
InChIInChI=1S/C15H20O3/c1-10(16-4)12-8-11-6-7-15(2,3)18-13(11)9-14(12)17-5/h6-10H,1-5H3
InChIKeyKIDINSSIUWCEBX-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.59
Rot. Bonds3

About 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene

7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene (PubChem CID 14427467) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene.

Molecular Properties

Compound Name7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
PubChem CID14427467
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
SMILESCOc1cc2c(cc1C(C)OC)C=CC(C)(C)O2
InChIInChI=1S/C15H20O3/c1-10(16-4)12-8-11-6-7-15(2,3)18-13(11)9-14(12)17-5/h6-10H,1-5H3
InChIKeyKIDINSSIUWCEBX-UHFFFAOYSA-N
XLogP3.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene?
The IUPAC name of 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene (CID 14427467) is 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene.
What is the SMILES notation for 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene?
The canonical SMILES for 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene is COc1cc2c(cc1C(C)OC)C=CC(C)(C)O2.
What is the InChIKey of 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene?
The InChIKey is KIDINSSIUWCEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(16-4)12-8-11-6-7-15(2,3)18-13(11)9-14(12)17-5/h6-10H,1-5H3.
What are the key properties of 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene?
7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene has a molecular weight of 248.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene is sourced from PubChem (CID 14427467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).