2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one

C13H16O2 — CID 43536410

IUPAC2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one
SMILESCc1cc(C)c2c(c1C)OC(C)CC2=O
InChIInChI=1S/C13H16O2/c1-7-5-8(2)12-11(14)6-9(3)15-13(12)10(7)4/h5,9H,6H2,1-4H3
InChIKeyXYKQNRCPNIINRL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.97
Rot. Bonds

About 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one

2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one (PubChem CID 43536410) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one
PubChem CID43536410
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one
SMILESCc1cc(C)c2c(c1C)OC(C)CC2=O
InChIInChI=1S/C13H16O2/c1-7-5-8(2)12-11(14)6-9(3)15-13(12)10(7)4/h5,9H,6H2,1-4H3
InChIKeyXYKQNRCPNIINRL-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one (CID 43536410) is 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one is Cc1cc(C)c2c(c1C)OC(C)CC2=O.
What is the InChIKey of 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one?
The InChIKey is XYKQNRCPNIINRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-7-5-8(2)12-11(14)6-9(3)15-13(12)10(7)4/h5,9H,6H2,1-4H3.
What are the key properties of 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one?
2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 43536410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).