6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one

C15H9Cl3O2 — CID 114672781

IUPAC6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H9Cl3O2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,15H,7H2
InChIKeyUSKAZLYLLONBNH-UHFFFAOYSA-N
MW327.59 g/mol
LogP5.35
Rot. Bonds1

About 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one

6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 114672781) has the molecular formula C15H9Cl3O2 and a molecular weight of 327.59 g/mol. Its IUPAC name is 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
PubChem CID114672781
Molecular FormulaC15H9Cl3O2
Molecular Weight327.59 g/mol
Exact Mass325.97
IUPAC Name6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccc(Cl)c(Cl)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H9Cl3O2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,15H,7H2
InChIKeyUSKAZLYLLONBNH-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.59
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(3,5-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672721
6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728
6-chloro-2-[3-(difluoromethyl)phenyl]-2,3-dihydrochromen-4-one
CID 114672815
6-chloro-2-(3-fluoro-4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114672657
6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672978
6-chloro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114672943
6-amino-2-(4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 82046236
6-chloro-2-(3-chloro-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672674
2-(3-chloro-4-methoxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 114673668
2-(3-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114671437
(2S)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 77105169
6-bromo-2-(2-bromo-4-chlorophenyl)-2,3-dihydrochromen-4-one
CID 114674168

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one (CID 114672781) is 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2ccc(Cl)c(Cl)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is USKAZLYLLONBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3O2/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-11(17)12(18)5-8/h1-6,15H,7H2.
What are the key properties of 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one?
6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 327.59 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).