3-(2,6-dichlorophenyl)benzo[f]chromen-1-one

C19H10Cl2O2 — CID 56833936

IUPAC3-(2,6-dichlorophenyl)benzo[f]chromen-1-one
SMILESO=c1cc(-c2c(Cl)cccc2Cl)oc2ccc3ccccc3c12
InChIInChI=1S/C19H10Cl2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H
InChIKeyLLAAAGIWMHVXLD-UHFFFAOYSA-N
MW341.19 g/mol
LogP5.92
Rot. Bonds1

About 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one

3-(2,6-dichlorophenyl)benzo[f]chromen-1-one (PubChem CID 56833936) has the molecular formula C19H10Cl2O2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)benzo[f]chromen-1-one
PubChem CID56833936
Molecular FormulaC19H10Cl2O2
Molecular Weight341.19 g/mol
Exact Mass340.01
IUPAC Name3-(2,6-dichlorophenyl)benzo[f]chromen-1-one
SMILESO=c1cc(-c2c(Cl)cccc2Cl)oc2ccc3ccccc3c12
InChIInChI=1S/C19H10Cl2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H
InChIKeyLLAAAGIWMHVXLD-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'}

Analyze 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4,5-trimethoxyphenyl)benzo[f]chromen-1-one
CID 5073343
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 142743418
3-(3-amino-4-fluorophenyl)benzo[f]chromen-1-one
CID 82046628
9-chloro-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166918306
2-(2-chlorophenyl)benzo[e][1]benzofuran
CID 838342
2-(2-chlorophenyl)benzo[h]chromen-4-one
CID 11266772
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280
8-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 167424257
2-[7-(1-benzofuran-2-yl)benzo[a]anthracen-12-yl]-1-benzofuran
CID 59601077
11-bromo-8-chloronaphtho[2,1-b][1]benzofuran
CID 156553904
azane;2-(1-benzofuran-2-yl)-3-chlorobenzaldehyde;1-chloronaphtho[1,2-b][1]benzofuran;hydrate
CID 159614653
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one?
The IUPAC name of 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one (CID 56833936) is 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one is O=c1cc(-c2c(Cl)cccc2Cl)oc2ccc3ccccc3c12.
What is the InChIKey of 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one?
The InChIKey is LLAAAGIWMHVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H.
What are the key properties of 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one?
3-(2,6-dichlorophenyl)benzo[f]chromen-1-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 3-(2,6-dichlorophenyl)benzo[f]chromen-1-one is sourced from PubChem (CID 56833936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).