2-chloro-7-methyl-10H-anthracen-9-one

C15H11ClO — CID 11806832

IUPAC2-chloro-7-methyl-10H-anthracen-9-one
SMILESCc1ccc2c(c1)C(=O)c1cc(Cl)ccc1C2
InChIInChI=1S/C15H11ClO/c1-9-2-3-10-7-11-4-5-12(16)8-14(11)15(17)13(10)6-9/h2-6,8H,7H2,1H3
InChIKeyPKCIQIIHGOYSPQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.78
Rot. Bonds

About 2-chloro-7-methyl-10H-anthracen-9-one

2-chloro-7-methyl-10H-anthracen-9-one (PubChem CID 11806832) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-7-methyl-10H-anthracen-9-one.

Molecular Properties

Compound Name2-chloro-7-methyl-10H-anthracen-9-one
PubChem CID11806832
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name2-chloro-7-methyl-10H-anthracen-9-one
SMILESCc1ccc2c(c1)C(=O)c1cc(Cl)ccc1C2
InChIInChI=1S/C15H11ClO/c1-9-2-3-10-7-11-4-5-12(16)8-14(11)15(17)13(10)6-9/h2-6,8H,7H2,1H3
InChIKeyPKCIQIIHGOYSPQ-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-10H-anthracen-9-one?
The IUPAC name of 2-chloro-7-methyl-10H-anthracen-9-one (CID 11806832) is 2-chloro-7-methyl-10H-anthracen-9-one.
What is the SMILES notation for 2-chloro-7-methyl-10H-anthracen-9-one?
The canonical SMILES for 2-chloro-7-methyl-10H-anthracen-9-one is Cc1ccc2c(c1)C(=O)c1cc(Cl)ccc1C2.
What is the InChIKey of 2-chloro-7-methyl-10H-anthracen-9-one?
The InChIKey is PKCIQIIHGOYSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c1-9-2-3-10-7-11-4-5-12(16)8-14(11)15(17)13(10)6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-chloro-7-methyl-10H-anthracen-9-one?
2-chloro-7-methyl-10H-anthracen-9-one has a molecular weight of 242.71 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-10H-anthracen-9-one is sourced from PubChem (CID 11806832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).