3-methylaceanthrylene-1,2-dione

C17H10O2 — CID 89289252

IUPAC3-methylaceanthrylene-1,2-dione
SMILESCc1ccc2cc3ccccc3c3c2c1C(=O)C3=O
InChIInChI=1S/C17H10O2/c1-9-6-7-11-8-10-4-2-3-5-12(10)15-14(11)13(9)16(18)17(15)19/h2-8H,1H3
InChIKeyROXFFFYPJLMFTI-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.68
Rot. Bonds

About 3-methylaceanthrylene-1,2-dione

3-methylaceanthrylene-1,2-dione (PubChem CID 89289252) has the molecular formula C17H10O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-methylaceanthrylene-1,2-dione.

Molecular Properties

Compound Name3-methylaceanthrylene-1,2-dione
PubChem CID89289252
Molecular FormulaC17H10O2
Molecular Weight246.27 g/mol
Exact Mass246.07
IUPAC Name3-methylaceanthrylene-1,2-dione
SMILESCc1ccc2cc3ccccc3c3c2c1C(=O)C3=O
InChIInChI=1S/C17H10O2/c1-9-6-7-11-8-10-4-2-3-5-12(10)15-14(11)13(9)16(18)17(15)19/h2-8H,1H3
InChIKeyROXFFFYPJLMFTI-UHFFFAOYSA-N
XLogP3.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
6-methylbenzo[a]anthracene-7,12-dione
CID 12934886
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
9-anthracen-9-ylanthracene;toluene
CID 86148014
(2-methyl-1-phenylanthracen-9-yl) benzoate
CID 132544904
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
5-methyl-2-(2-methylnaphthalen-1-yl)aniline
CID 82767076
lithium;hydride;9-methylanthracene
CID 174773747
benzo[j]aceanthrylene-1,2-dione
CID 13450607

Frequently Asked Questions

What is the IUPAC name of 3-methylaceanthrylene-1,2-dione?
The IUPAC name of 3-methylaceanthrylene-1,2-dione (CID 89289252) is 3-methylaceanthrylene-1,2-dione.
What is the SMILES notation for 3-methylaceanthrylene-1,2-dione?
The canonical SMILES for 3-methylaceanthrylene-1,2-dione is Cc1ccc2cc3ccccc3c3c2c1C(=O)C3=O.
What is the InChIKey of 3-methylaceanthrylene-1,2-dione?
The InChIKey is ROXFFFYPJLMFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O2/c1-9-6-7-11-8-10-4-2-3-5-12(10)15-14(11)13(9)16(18)17(15)19/h2-8H,1H3.
What are the key properties of 3-methylaceanthrylene-1,2-dione?
3-methylaceanthrylene-1,2-dione has a molecular weight of 246.27 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylaceanthrylene-1,2-dione is sourced from PubChem (CID 89289252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).