2-(3,5-dichlorophenyl)benzo[h]chromen-4-one

C19H10Cl2O2 — CID 155552958

IUPAC2-(3,5-dichlorophenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H10Cl2O2/c20-13-7-12(8-14(21)9-13)18-10-17(22)16-6-5-11-3-1-2-4-15(11)19(16)23-18/h1-10H
InChIKeyMUXNCWKFJVXJGD-UHFFFAOYSA-N
MW341.19 g/mol
LogP5.92
Rot. Bonds1

About 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one

2-(3,5-dichlorophenyl)benzo[h]chromen-4-one (PubChem CID 155552958) has the molecular formula C19H10Cl2O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)benzo[h]chromen-4-one
PubChem CID155552958
Molecular FormulaC19H10Cl2O2
Molecular Weight341.19 g/mol
Exact Mass340.01
IUPAC Name2-(3,5-dichlorophenyl)benzo[h]chromen-4-one
SMILESO=c1cc(-c2cc(Cl)cc(Cl)c2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H10Cl2O2/c20-13-7-12(8-14(21)9-13)18-10-17(22)16-6-5-11-3-1-2-4-15(11)19(16)23-18/h1-10H
InChIKeyMUXNCWKFJVXJGD-UHFFFAOYSA-N
XLogP5.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.19
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one?
The IUPAC name of 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one (CID 155552958) is 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one is O=c1cc(-c2cc(Cl)cc(Cl)c2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one?
The InChIKey is MUXNCWKFJVXJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2O2/c20-13-7-12(8-14(21)9-13)18-10-17(22)16-6-5-11-3-1-2-4-15(11)19(16)23-18/h1-10H.
What are the key properties of 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one?
2-(3,5-dichlorophenyl)benzo[h]chromen-4-one has a molecular weight of 341.19 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)benzo[h]chromen-4-one is sourced from PubChem (CID 155552958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).