6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one

C15H9Cl2FO2 — CID 114672978

IUPAC6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(F)cc(Cl)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H9Cl2FO2/c16-9-1-2-14-12(6-9)13(19)7-15(20-14)8-3-10(17)5-11(18)4-8/h1-6,15H,7H2
InChIKeyXPZDUSSFBJGTMR-UHFFFAOYSA-N
MW311.14 g/mol
LogP4.84
Rot. Bonds1

About 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one

6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one (PubChem CID 114672978) has the molecular formula C15H9Cl2FO2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
PubChem CID114672978
Molecular FormulaC15H9Cl2FO2
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(F)cc(Cl)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H9Cl2FO2/c16-9-1-2-14-12(6-9)13(19)7-15(20-14)8-3-10(17)5-11(18)4-8/h1-6,15H,7H2
InChIKeyXPZDUSSFBJGTMR-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(3,5-difluorophenyl)-2,3-dihydrochromen-4-one
CID 106534728
6-chloro-2-(3,5-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672721
6-bromo-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114674428
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
6-chloro-2-(3,4-dichlorophenyl)-2,3-dihydrochromen-4-one
CID 114672781
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-2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 114672674
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-bromo-2-(3,4,5-trifluorophenyl)-2,3-dihydrochromen-4-one
CID 114674398
(2R)-2-(3-fluorophenyl)-2,3-dihydrochromen-4-one
CID 70363390

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one (CID 114672978) is 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one is O=C1CC(c2cc(F)cc(Cl)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
The InChIKey is XPZDUSSFBJGTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO2/c16-9-1-2-14-12(6-9)13(19)7-15(20-14)8-3-10(17)5-11(18)4-8/h1-6,15H,7H2.
What are the key properties of 6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one?
6-chloro-2-(3-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one has a molecular weight of 311.14 g/mol, XLogP of 4.84, 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-chloro-5-fluorophenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114672978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).