2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene

C15H21FO2 — CID 123599111

IUPAC2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
SMILESCCC1(C)CC(OC(C)C)c2cc(F)ccc2O1
InChIInChI=1S/C15H21FO2/c1-5-15(4)9-14(17-10(2)3)12-8-11(16)6-7-13(12)18-15/h6-8,10,14H,5,9H2,1-4H3
InChIKeyXMNSNLFQTVNCJG-UHFFFAOYSA-N
MW252.33 g/mol
LogP4.24
Rot. Bonds3

About 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene

2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene (PubChem CID 123599111) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene.

Molecular Properties

Compound Name2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
PubChem CID123599111
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
SMILESCCC1(C)CC(OC(C)C)c2cc(F)ccc2O1
InChIInChI=1S/C15H21FO2/c1-5-15(4)9-14(17-10(2)3)12-8-11(16)6-7-13(12)18-15/h6-8,10,14H,5,9H2,1-4H3
InChIKeyXMNSNLFQTVNCJG-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene?
The IUPAC name of 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene (CID 123599111) is 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene.
What is the SMILES notation for 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene?
The canonical SMILES for 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene is CCC1(C)CC(OC(C)C)c2cc(F)ccc2O1.
What is the InChIKey of 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene?
The InChIKey is XMNSNLFQTVNCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-5-15(4)9-14(17-10(2)3)12-8-11(16)6-7-13(12)18-15/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene?
2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene has a molecular weight of 252.33 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene is sourced from PubChem (CID 123599111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).