3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one

C16H10ClFO2 — CID 141334267

IUPAC3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one
SMILESCc1ccc(Cl)cc1-c1coc2ccc(F)cc2c1=O
InChIInChI=1S/C16H10ClFO2/c1-9-2-3-10(17)6-12(9)14-8-20-15-5-4-11(18)7-13(15)16(14)19/h2-8H,1H3
InChIKeyQNFBQUDNGIHEMN-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.56
Rot. Bonds1

About 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one

3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one (PubChem CID 141334267) has the molecular formula C16H10ClFO2 and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one
PubChem CID141334267
Molecular FormulaC16H10ClFO2
Molecular Weight288.71 g/mol
Exact Mass288.04
IUPAC Name3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one
SMILESCc1ccc(Cl)cc1-c1coc2ccc(F)cc2c1=O
InChIInChI=1S/C16H10ClFO2/c1-9-2-3-10(17)6-12(9)14-8-20-15-5-4-11(18)7-13(15)16(14)19/h2-8H,1H3
InChIKeyQNFBQUDNGIHEMN-UHFFFAOYSA-N
XLogP4.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one (CID 141334267) is 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one is Cc1ccc(Cl)cc1-c1coc2ccc(F)cc2c1=O.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one?
The InChIKey is QNFBQUDNGIHEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO2/c1-9-2-3-10(17)6-12(9)14-8-20-15-5-4-11(18)7-13(15)16(14)19/h2-8H,1H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one?
3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one has a molecular weight of 288.71 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-6-fluorochromen-4-one is sourced from PubChem (CID 141334267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).