2-methyl-7-propylanthracene-9,10-dione

C18H16O2 — CID 118026365

IUPAC2-methyl-7-propylanthracene-9,10-dione
SMILESCCCc1ccc2c(c1)C(=O)c1cc(C)ccc1C2=O
InChIInChI=1S/C18H16O2/c1-3-4-12-6-8-14-16(10-12)18(20)15-9-11(2)5-7-13(15)17(14)19/h5-10H,3-4H2,1-2H3
InChIKeyWTDHIMJWWZHXGY-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.72
Rot. Bonds2

About 2-methyl-7-propylanthracene-9,10-dione

2-methyl-7-propylanthracene-9,10-dione (PubChem CID 118026365) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-7-propylanthracene-9,10-dione.

Molecular Properties

Compound Name2-methyl-7-propylanthracene-9,10-dione
PubChem CID118026365
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-methyl-7-propylanthracene-9,10-dione
SMILESCCCc1ccc2c(c1)C(=O)c1cc(C)ccc1C2=O
InChIInChI=1S/C18H16O2/c1-3-4-12-6-8-14-16(10-12)18(20)15-9-11(2)5-7-13(15)17(14)19/h5-10H,3-4H2,1-2H3
InChIKeyWTDHIMJWWZHXGY-UHFFFAOYSA-N
XLogP3.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propylanthracene-9,10-dione
CID 22643716
3-chloro-6-methyl-2-propylnaphthalene-1,4-dione
CID 19872865
2,6-diethylanthracene-9,10-dione
CID 130464580
2-(4,8-dimethylnonyl)-7-propylanthracene-9,10-dione
CID 134297767
2-octylanthracene-9,10-dione
CID 141254876
2-butyl-3,6-dimethylnaphthalene-1,4-dione
CID 10444415
1-tert-butyl-2-(2-ethyl-5-propylphenyl)-4-methylbenzene
CID 142247670
6-propyl-1H-indole-2,3-dione
CID 68953474
6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 57083921
2-methyl-7-propylnaphthalene
CID 59912073
2-methyl-7-sulfanylfluoren-9-one
CID 148861091
3-(3,7-dimethyl-1,4-dioxonaphthalen-2-yl)-2,6-dimethylnaphthalene-1,4-dione
CID 59053380

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propylanthracene-9,10-dione?
The IUPAC name of 2-methyl-7-propylanthracene-9,10-dione (CID 118026365) is 2-methyl-7-propylanthracene-9,10-dione.
What is the SMILES notation for 2-methyl-7-propylanthracene-9,10-dione?
The canonical SMILES for 2-methyl-7-propylanthracene-9,10-dione is CCCc1ccc2c(c1)C(=O)c1cc(C)ccc1C2=O.
What is the InChIKey of 2-methyl-7-propylanthracene-9,10-dione?
The InChIKey is WTDHIMJWWZHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-3-4-12-6-8-14-16(10-12)18(20)15-9-11(2)5-7-13(15)17(14)19/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-7-propylanthracene-9,10-dione?
2-methyl-7-propylanthracene-9,10-dione has a molecular weight of 264.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propylanthracene-9,10-dione is sourced from PubChem (CID 118026365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).