6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one

C20H20O2 — CID 90717668

IUPAC6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(C1CCCc3ccccc31)O2
InChIInChI=1S/C20H20O2/c1-13-9-10-19-17(11-13)18(21)12-20(22-19)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-11,16,20H,4,6,8,12H2,1H3
InChIKeyXIGOLHVZUSUYLW-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.45
Rot. Bonds1

About 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one

6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one (PubChem CID 90717668) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one
PubChem CID90717668
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)CC(C1CCCc3ccccc31)O2
InChIInChI=1S/C20H20O2/c1-13-9-10-19-17(11-13)18(21)12-20(22-19)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-11,16,20H,4,6,8,12H2,1H3
InChIKeyXIGOLHVZUSUYLW-UHFFFAOYSA-N
XLogP4.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one (CID 90717668) is 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)CC(C1CCCc3ccccc31)O2.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one?
The InChIKey is XIGOLHVZUSUYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-13-9-10-19-17(11-13)18(21)12-20(22-19)16-8-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,9-11,16,20H,4,6,8,12H2,1H3.
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one?
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one has a molecular weight of 292.38 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 90717668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).