8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one

C13H18O2 — CID 166655525

IUPAC8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one
SMILESCCCC1C=C(C)C2=C(C1)C(=O)CCO2
InChIInChI=1S/C13H18O2/c1-3-4-10-7-9(2)13-11(8-10)12(14)5-6-15-13/h7,10H,3-6,8H2,1-2H3
InChIKeyNLRDKMVVVIVCEA-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds2

About 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one

8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one (PubChem CID 166655525) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one.

Molecular Properties

Compound Name8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one
PubChem CID166655525
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one
SMILESCCCC1C=C(C)C2=C(C1)C(=O)CCO2
InChIInChI=1S/C13H18O2/c1-3-4-10-7-9(2)13-11(8-10)12(14)5-6-15-13/h7,10H,3-6,8H2,1-2H3
InChIKeyNLRDKMVVVIVCEA-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one?
The IUPAC name of 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one (CID 166655525) is 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one.
What is the SMILES notation for 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one?
The canonical SMILES for 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one is CCCC1C=C(C)C2=C(C1)C(=O)CCO2.
What is the InChIKey of 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one?
The InChIKey is NLRDKMVVVIVCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-10-7-9(2)13-11(8-10)12(14)5-6-15-13/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one?
8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one has a molecular weight of 206.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-propyl-2,3,5,6-tetrahydrochromen-4-one is sourced from PubChem (CID 166655525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).