6-chloro-5,7-dimethyl-2-phenylchromen-4-one

C17H13ClO2 — CID 71739417

IUPAC6-chloro-5,7-dimethyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)cc(=O)c2c(C)c1Cl
InChIInChI=1S/C17H13ClO2/c1-10-8-15-16(11(2)17(10)18)13(19)9-14(20-15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyWLQPUJIXZQAZNG-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.73
Rot. Bonds1

About 6-chloro-5,7-dimethyl-2-phenylchromen-4-one

6-chloro-5,7-dimethyl-2-phenylchromen-4-one (PubChem CID 71739417) has the molecular formula C17H13ClO2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 6-chloro-5,7-dimethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-chloro-5,7-dimethyl-2-phenylchromen-4-one
PubChem CID71739417
Molecular FormulaC17H13ClO2
Molecular Weight284.74 g/mol
Exact Mass284.06
IUPAC Name6-chloro-5,7-dimethyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)cc(=O)c2c(C)c1Cl
InChIInChI=1S/C17H13ClO2/c1-10-8-15-16(11(2)17(10)18)13(19)9-14(20-15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyWLQPUJIXZQAZNG-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-5,7-dimethyl-2-phenylchromen-4-one?
The IUPAC name of 6-chloro-5,7-dimethyl-2-phenylchromen-4-one (CID 71739417) is 6-chloro-5,7-dimethyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-chloro-5,7-dimethyl-2-phenylchromen-4-one?
The canonical SMILES for 6-chloro-5,7-dimethyl-2-phenylchromen-4-one is Cc1cc2oc(-c3ccccc3)cc(=O)c2c(C)c1Cl.
What is the InChIKey of 6-chloro-5,7-dimethyl-2-phenylchromen-4-one?
The InChIKey is WLQPUJIXZQAZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO2/c1-10-8-15-16(11(2)17(10)18)13(19)9-14(20-15)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 6-chloro-5,7-dimethyl-2-phenylchromen-4-one?
6-chloro-5,7-dimethyl-2-phenylchromen-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-5,7-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 71739417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).