1-chloro-2-methylanthracene-9,10-dione

C15H9ClO2 — CID 8509

IUPAC1-chloro-2-methylanthracene-9,10-dione
SMILESCc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H9ClO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
InChIKeyNMFBXBSNLQNQKL-UHFFFAOYSA-N
MW256.69 g/mol
LogP3.42
Rot. Bonds

About 1-chloro-2-methylanthracene-9,10-dione

1-chloro-2-methylanthracene-9,10-dione (PubChem CID 8509) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-chloro-2-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1-chloro-2-methylanthracene-9,10-dione
PubChem CID8509
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name1-chloro-2-methylanthracene-9,10-dione
SMILESCc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H9ClO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
InChIKeyNMFBXBSNLQNQKL-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylanthracene-9,10-dione?
The IUPAC name of 1-chloro-2-methylanthracene-9,10-dione (CID 8509) is 1-chloro-2-methylanthracene-9,10-dione.
What is the SMILES notation for 1-chloro-2-methylanthracene-9,10-dione?
The canonical SMILES for 1-chloro-2-methylanthracene-9,10-dione is Cc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-chloro-2-methylanthracene-9,10-dione?
The InChIKey is NMFBXBSNLQNQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3.
What are the key properties of 1-chloro-2-methylanthracene-9,10-dione?
1-chloro-2-methylanthracene-9,10-dione has a molecular weight of 256.69 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylanthracene-9,10-dione is sourced from PubChem (CID 8509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).