6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one

C17H18O4 — CID 14296398

IUPAC6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
SMILESCC(=O)c1cc2c(=O)cc(C)oc2c2c1OC(C)(C)CC2
InChIInChI=1S/C17H18O4/c1-9-7-14(19)13-8-12(10(2)18)16-11(15(13)20-9)5-6-17(3,4)21-16/h7-8H,5-6H2,1-4H3
InChIKeyUEIBHHICHLTZKQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.41
Rot. Bonds1

About 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one

6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one (PubChem CID 14296398) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
PubChem CID14296398
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one
SMILESCC(=O)c1cc2c(=O)cc(C)oc2c2c1OC(C)(C)CC2
InChIInChI=1S/C17H18O4/c1-9-7-14(19)13-8-12(10(2)18)16-11(15(13)20-9)5-6-17(3,4)21-16/h7-8H,5-6H2,1-4H3
InChIKeyUEIBHHICHLTZKQ-UHFFFAOYSA-N
XLogP3.41
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-hydroxy-2,2,8-trimethyl-3,4-dihydrochromen-6-yl)ethanone
CID 12529749
5-chloro-3,3-dimethyl-1,2-dihydropyrano[2,3-c]xanthen-7-one
CID 172638282
2,2,6-trimethyl-3,4-dihydrochromene-8-carboxylic acid
CID 171787688
1-(4-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 121003381
8-iodo-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide
CID 90338042
3-[(6-acetyl-5,7-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-6-ethyl-4-hydroxy-5-methylpyran-2-one
CID 54682569
1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 58294043
trimethyl-(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)azanium acetate
CID 164687688
2,2,7-trimethyl-3,4-dihydrochromene-6-carboxylic acid
CID 117097203
5-(hydroxymethyl)-2,2,8-trimethyl-3,4-dihydrochromen-6-ol
CID 53473720
methyl 10-methoxy-2,2,8,8-tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromene-5-carboxylate
CID 851414
8-(8-acetyl-6-methyl-4-oxochromen-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 156876394

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one?
The IUPAC name of 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one (CID 14296398) is 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one.
What is the SMILES notation for 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one?
The canonical SMILES for 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one is CC(=O)c1cc2c(=O)cc(C)oc2c2c1OC(C)(C)CC2.
What is the InChIKey of 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one?
The InChIKey is UEIBHHICHLTZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-9-7-14(19)13-8-12(10(2)18)16-11(15(13)20-9)5-6-17(3,4)21-16/h7-8H,5-6H2,1-4H3.
What are the key properties of 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one?
6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one has a molecular weight of 286.33 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2,8,8-trimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 14296398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).