6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one

C23H16ClFO3 — CID 7746679

IUPAC6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccccc2F)cc1
InChIInChI=1S/C23H16ClFO3/c1-14-6-8-15(9-7-14)22-23(27-13-16-4-2-3-5-19(16)25)21(26)18-12-17(24)10-11-20(18)28-22/h2-12H,13H2,1H3
InChIKeyJVVCLGWCBUUKRQ-UHFFFAOYSA-N
MW394.83 g/mol
LogP6.14
Rot. Bonds4

About 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one

6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one (PubChem CID 7746679) has the molecular formula C23H16ClFO3 and a molecular weight of 394.83 g/mol. Its IUPAC name is 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
PubChem CID7746679
Molecular FormulaC23H16ClFO3
Molecular Weight394.83 g/mol
Exact Mass394.08
IUPAC Name6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccccc2F)cc1
InChIInChI=1S/C23H16ClFO3/c1-14-6-8-15(9-7-14)22-23(27-13-16-4-2-3-5-19(16)25)21(26)18-12-17(24)10-11-20(18)28-22/h2-12H,13H2,1H3
InChIKeyJVVCLGWCBUUKRQ-UHFFFAOYSA-N
XLogP6.14
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 21000460
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one (CID 7746679) is 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccccc2F)cc1.
What is the InChIKey of 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The InChIKey is JVVCLGWCBUUKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFO3/c1-14-6-8-15(9-7-14)22-23(27-13-16-4-2-3-5-19(16)25)21(26)18-12-17(24)10-11-20(18)28-22/h2-12H,13H2,1H3.
What are the key properties of 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one has a molecular weight of 394.83 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 7746679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).