1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone

C21H21NO2 — CID 177474893

IUPAC1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone
SMILESCC(=O)n1c2c(c3cc(C)ccc31)OC(C)(c1ccccc1)CC2
InChIInChI=1S/C21H21NO2/c1-14-9-10-18-17(13-14)20-19(22(18)15(2)23)11-12-21(3,24-20)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
InChIKeyUTLWVZHEUXZMDQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.85
Rot. Bonds1

About 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone

1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone (PubChem CID 177474893) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone
PubChem CID177474893
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone
SMILESCC(=O)n1c2c(c3cc(C)ccc31)OC(C)(c1ccccc1)CC2
InChIInChI=1S/C21H21NO2/c1-14-9-10-18-17(13-14)20-19(22(18)15(2)23)11-12-21(3,24-20)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
InChIKeyUTLWVZHEUXZMDQ-UHFFFAOYSA-N
XLogP4.85
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone?
The IUPAC name of 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone (CID 177474893) is 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone.
What is the SMILES notation for 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone?
The canonical SMILES for 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone is CC(=O)n1c2c(c3cc(C)ccc31)OC(C)(c1ccccc1)CC2.
What is the InChIKey of 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone?
The InChIKey is UTLWVZHEUXZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-9-10-18-17(13-14)20-19(22(18)15(2)23)11-12-21(3,24-20)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone?
1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone has a molecular weight of 319.40 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethyl-2-phenyl-3,4-dihydropyrano[3,2-b]indol-5-yl)ethanone is sourced from PubChem (CID 177474893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).