7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one

C20H18O2 — CID 4520936

IUPAC7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(-c3ccc4c(c3)C(=O)CCC4)cc21
InChIInChI=1S/C20H18O2/c21-19-5-1-3-13-7-9-15(11-17(13)19)16-10-8-14-4-2-6-20(22)18(14)12-16/h7-12H,1-6H2
InChIKeyRBLLXSDPHPZFAW-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.39
Rot. Bonds1

About 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one

7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 4520936) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID4520936
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(-c3ccc4c(c3)C(=O)CCC4)cc21
InChIInChI=1S/C20H18O2/c21-19-5-1-3-13-7-9-15(11-17(13)19)16-10-8-14-4-2-6-20(22)18(14)12-16/h7-12H,1-6H2
InChIKeyRBLLXSDPHPZFAW-UHFFFAOYSA-N
XLogP4.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Anthraquinone
CID 6780
Menatetrenone
CID 5282367
9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
Tonalide
CID 89440
Benzanthrone
CID 6697
2-Acetylnaphthalene
CID 7122
Miltirone
CID 160142
2-Ethylanthraquinone
CID 6772
2-Methylanthraquinone
CID 6773
2,4-Dimethylacetophenone
CID 6985
Phenalenone
CID 11050

Frequently Asked Questions

What is the IUPAC name of 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one (CID 4520936) is 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(-c3ccc4c(c3)C(=O)CCC4)cc21.
What is the InChIKey of 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RBLLXSDPHPZFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c21-19-5-1-3-13-7-9-15(11-17(13)19)16-10-8-14-4-2-6-20(22)18(14)12-16/h7-12H,1-6H2.
What are the key properties of 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one?
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 290.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 4520936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).