2-propyl-2H-anthracen-1-one

C17H16O — CID 156777722

IUPAC2-propyl-2H-anthracen-1-one
SMILESCCCC1C=Cc2cc3ccccc3cc2C1=O
InChIInChI=1S/C17H16O/c1-2-5-12-8-9-15-10-13-6-3-4-7-14(13)11-16(15)17(12)18/h3-4,6-12H,2,5H2,1H3
InChIKeyQMPJBWTVHZTBOR-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.47
Rot. Bonds2

About 2-propyl-2H-anthracen-1-one

2-propyl-2H-anthracen-1-one (PubChem CID 156777722) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-propyl-2H-anthracen-1-one.

Molecular Properties

Compound Name2-propyl-2H-anthracen-1-one
PubChem CID156777722
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-propyl-2H-anthracen-1-one
SMILESCCCC1C=Cc2cc3ccccc3cc2C1=O
InChIInChI=1S/C17H16O/c1-2-5-12-8-9-15-10-13-6-3-4-7-14(13)11-16(15)17(12)18/h3-4,6-12H,2,5H2,1H3
InChIKeyQMPJBWTVHZTBOR-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 141215682
2-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H-anthracen-1-one
CID 156769470
anthracene-1,2-dione
CID 160810098
1,2-dipropylcyclopenta[b]naphthalen-3-one
CID 10659285
3-ethylanthracene-1,2-dione
CID 19425075
ethane;pentacene-6,13-dione
CID 91293848
11H-benzo[b]fluoren-11-ide;1-ethyl-1H-indene;hafnium;dichloride
CID 173283865
3-methyl-2H-anthracen-1-one
CID 141307258
1-methyl-1,2-dioctyl-2H-anthracene
CID 159077305
1-butyl-1H-indene;zirconium
CID 175289141
3-methylidenecyclopenta[b]naphthalene
CID 12699885
anthracene-1,2-dione;bromomethylbenzene
CID 174847048

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2H-anthracen-1-one?
The IUPAC name of 2-propyl-2H-anthracen-1-one (CID 156777722) is 2-propyl-2H-anthracen-1-one.
What is the SMILES notation for 2-propyl-2H-anthracen-1-one?
The canonical SMILES for 2-propyl-2H-anthracen-1-one is CCCC1C=Cc2cc3ccccc3cc2C1=O.
What is the InChIKey of 2-propyl-2H-anthracen-1-one?
The InChIKey is QMPJBWTVHZTBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-5-12-8-9-15-10-13-6-3-4-7-14(13)11-16(15)17(12)18/h3-4,6-12H,2,5H2,1H3.
What are the key properties of 2-propyl-2H-anthracen-1-one?
2-propyl-2H-anthracen-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2H-anthracen-1-one is sourced from PubChem (CID 156777722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).