2-pentylanthracene-9,10-dione

C19H18O2 — CID 26343

IUPAC2-pentylanthracene-9,10-dione
SMILESCCCCCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3
InChIKeyUMWZLYTVXQBTTE-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.19
Rot. Bonds4

About 2-pentylanthracene-9,10-dione

2-pentylanthracene-9,10-dione (PubChem CID 26343) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-pentylanthracene-9,10-dione.

Molecular Properties

Compound Name2-pentylanthracene-9,10-dione
PubChem CID26343
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-pentylanthracene-9,10-dione
SMILESCCCCCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3
InChIKeyUMWZLYTVXQBTTE-UHFFFAOYSA-N
XLogP4.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Menadione
CID 4055
Phylloquinone
CID 5284607
Anthraquinone
CID 6780
Vitamin K
CID 5280483
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

Frequently Asked Questions

What is the IUPAC name of 2-pentylanthracene-9,10-dione?
The IUPAC name of 2-pentylanthracene-9,10-dione (CID 26343) is 2-pentylanthracene-9,10-dione.
What is the SMILES notation for 2-pentylanthracene-9,10-dione?
The canonical SMILES for 2-pentylanthracene-9,10-dione is CCCCCc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-pentylanthracene-9,10-dione?
The InChIKey is UMWZLYTVXQBTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3.
What are the key properties of 2-pentylanthracene-9,10-dione?
2-pentylanthracene-9,10-dione has a molecular weight of 278.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylanthracene-9,10-dione is sourced from PubChem (CID 26343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).