6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one

C22H14Cl2O3 — CID 73352575

IUPAC6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
SMILESCc1cc2oc(-c3ccc(Oc4ccc(Cl)cc4)cc3)cc(=O)c2cc1Cl
InChIInChI=1S/C22H14Cl2O3/c1-13-10-22-18(11-19(13)24)20(25)12-21(27-22)14-2-6-16(7-3-14)26-17-8-4-15(23)5-9-17/h2-12H,1H3
InChIKeyWYBIUHMSTXVWNK-UHFFFAOYSA-N
MW397.26 g/mol
LogP6.87
Rot. Bonds3

About 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one

6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one (PubChem CID 73352575) has the molecular formula C22H14Cl2O3 and a molecular weight of 397.26 g/mol. Its IUPAC name is 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one.

Molecular Properties

Compound Name6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
PubChem CID73352575
Molecular FormulaC22H14Cl2O3
Molecular Weight397.26 g/mol
Exact Mass396.03
IUPAC Name6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one
SMILESCc1cc2oc(-c3ccc(Oc4ccc(Cl)cc4)cc3)cc(=O)c2cc1Cl
InChIInChI=1S/C22H14Cl2O3/c1-13-10-22-18(11-19(13)24)20(25)12-21(27-22)14-2-6-16(7-3-14)26-17-8-4-15(23)5-9-17/h2-12H,1H3
InChIKeyWYBIUHMSTXVWNK-UHFFFAOYSA-N
XLogP6.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.26
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one?
The IUPAC name of 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one (CID 73352575) is 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one.
What is the SMILES notation for 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one?
The canonical SMILES for 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one is Cc1cc2oc(-c3ccc(Oc4ccc(Cl)cc4)cc3)cc(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one?
The InChIKey is WYBIUHMSTXVWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2O3/c1-13-10-22-18(11-19(13)24)20(25)12-21(27-22)14-2-6-16(7-3-14)26-17-8-4-15(23)5-9-17/h2-12H,1H3.
What are the key properties of 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one?
6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one has a molecular weight of 397.26 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(4-chlorophenoxy)phenyl]-7-methylchromen-4-one is sourced from PubChem (CID 73352575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).