2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one

C16H16O3 — CID 11357304

IUPAC2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one
SMILESCCc1cc(=O)c2ccc3c(c2o1)C=CC(C)(C)O3
InChIInChI=1S/C16H16O3/c1-4-10-9-13(17)11-5-6-14-12(15(11)18-10)7-8-16(2,3)19-14/h5-9H,4H2,1-3H3
InChIKeyZDNYUBBRJOOPJA-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.54
Rot. Bonds1

About 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one

2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one (PubChem CID 11357304) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one.

Molecular Properties

Compound Name2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one
PubChem CID11357304
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one
SMILESCCc1cc(=O)c2ccc3c(c2o1)C=CC(C)(C)O3
InChIInChI=1S/C16H16O3/c1-4-10-9-13(17)11-5-6-14-12(15(11)18-10)7-8-16(2,3)19-14/h5-9H,4H2,1-3H3
InChIKeyZDNYUBBRJOOPJA-UHFFFAOYSA-N
XLogP3.54
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10825913
2-(3-hydroxypropyl)-5-methoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one
CID 71460592
8-(bromomethyl)-2-ethyl-7-methoxychromen-4-one
CID 56642010
17,18-dimethoxy-7,7-dimethyl-2,8,22-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
CID 89257140
9-butyl-3,3-dimethyl-7H-pyrano[2,3-c]carbazole
CID 122400211
3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
CID 162837479
3,3-dimethyl-8-nitro-[1]benzofuro[3,2-f]chromene
CID 69398684
2,2,8,8-tetramethylpyrano[3,2-g]chromen-5-ol
CID 86035847
2,2,5-trimethylchromene-6-carbaldehyde
CID 118199611
9-(hydroxymethyl)-5,5-dimethyl-6,18-dioxa-16-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,8,12(17),13,15-heptaen-11-one
CID 11594731
8,8-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrano[2,3-f]chromen-4-one
CID 118706983
8,9-bis(9-hydroxy-3,3-dimethyl-7,10-dioxobenzo[f]chromen-8-yl)-3,3-dimethylbenzo[f]chromene-7,10-dione
CID 135908162

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one?
The IUPAC name of 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one (CID 11357304) is 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one.
What is the SMILES notation for 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one?
The canonical SMILES for 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one is CCc1cc(=O)c2ccc3c(c2o1)C=CC(C)(C)O3.
What is the InChIKey of 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one?
The InChIKey is ZDNYUBBRJOOPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-4-10-9-13(17)11-5-6-14-12(15(11)18-10)7-8-16(2,3)19-14/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one?
2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one has a molecular weight of 256.30 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8,8-dimethylpyrano[2,3-f]chromen-4-one is sourced from PubChem (CID 11357304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).