6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one

C17H13ClO2 — CID 13190880

IUPAC6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3cc(Cl)cc(C)c3o2)cc1
InChIInChI=1S/C17H13ClO2/c1-10-3-5-12(6-4-10)16-9-15(19)14-8-13(18)7-11(2)17(14)20-16/h3-9H,1-2H3
InChIKeyGNYHZLHJLBYXLK-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.73
Rot. Bonds1

About 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one

6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one (PubChem CID 13190880) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one
PubChem CID13190880
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3cc(Cl)cc(C)c3o2)cc1
InChIInChI=1S/C17H13ClO2/c1-10-3-5-12(6-4-10)16-9-15(19)14-8-13(18)7-11(2)17(14)20-16/h3-9H,1-2H3
InChIKeyGNYHZLHJLBYXLK-UHFFFAOYSA-N
XLogP4.73
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one (CID 13190880) is 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2cc(=O)c3cc(Cl)cc(C)c3o2)cc1.
What is the InChIKey of 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one?
The InChIKey is GNYHZLHJLBYXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-10-3-5-12(6-4-10)16-9-15(19)14-8-13(18)7-11(2)17(14)20-16/h3-9H,1-2H3.
What are the key properties of 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one?
6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one has a molecular weight of 284.74 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 13190880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).