1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one

C20H18O2 — CID 175507424

IUPAC1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
SMILESCC(=O)Cc1c2ccccc2c(CC(C)=O)c2ccccc12
InChIInChI=1S/C20H18O2/c1-13(21)11-19-15-7-3-5-9-17(15)20(12-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3
InChIKeyKYFXPUAICGVEQT-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.26
Rot. Bonds4

About 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one

1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one (PubChem CID 175507424) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one.

Molecular Properties

Compound Name1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
PubChem CID175507424
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
SMILESCC(=O)Cc1c2ccccc2c(CC(C)=O)c2ccccc12
InChIInChI=1S/C20H18O2/c1-13(21)11-19-15-7-3-5-9-17(15)20(12-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3
InChIKeyKYFXPUAICGVEQT-UHFFFAOYSA-N
XLogP4.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Anthraquinone
CID 6780
9,10-Phenanthrenedione
CID 6763
Benzanthrone
CID 6697
2-Acetylnaphthalene
CID 7122
Miltirone
CID 160142
2-Ethylanthraquinone
CID 6772
2-Methylanthraquinone
CID 6773
Phenalenone
CID 11050
1-Acetylnaphthalene
CID 13663
2-tert-Butylanthraquinone
CID 66532
2-tert-Amylanthraquinone
CID 122909
Dibenzo(b,def)chrysene-7,14-dione
CID 31412

Frequently Asked Questions

What is the IUPAC name of 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one?
The IUPAC name of 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one (CID 175507424) is 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one.
What is the SMILES notation for 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one?
The canonical SMILES for 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one is CC(=O)Cc1c2ccccc2c(CC(C)=O)c2ccccc12.
What is the InChIKey of 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one?
The InChIKey is KYFXPUAICGVEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-13(21)11-19-15-7-3-5-9-17(15)20(12-14(2)22)18-10-6-4-8-16(18)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one?
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one has a molecular weight of 290.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one is sourced from PubChem (CID 175507424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).