6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one

C23H15Cl2FO3 — CID 21001040

IUPAC6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)c(OCc3c(F)cccc3Cl)c(=O)c2cc1Cl
InChIInChI=1S/C23H15Cl2FO3/c1-13-10-20-15(11-18(13)25)21(27)23(22(29-20)14-6-3-2-4-7-14)28-12-16-17(24)8-5-9-19(16)26/h2-11H,12H2,1H3
InChIKeyGDSGTATWEIRYMX-UHFFFAOYSA-N
MW429.27 g/mol
LogP6.79
Rot. Bonds4

About 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one

6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one (PubChem CID 21001040) has the molecular formula C23H15Cl2FO3 and a molecular weight of 429.27 g/mol. Its IUPAC name is 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
PubChem CID21001040
Molecular FormulaC23H15Cl2FO3
Molecular Weight429.27 g/mol
Exact Mass428.04
IUPAC Name6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)c(OCc3c(F)cccc3Cl)c(=O)c2cc1Cl
InChIInChI=1S/C23H15Cl2FO3/c1-13-10-20-15(11-18(13)25)21(27)23(22(29-20)14-6-3-2-4-7-14)28-12-16-17(24)8-5-9-19(16)26/h2-11H,12H2,1H3
InChIKeyGDSGTATWEIRYMX-UHFFFAOYSA-N
XLogP6.79
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.27
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413
(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl) 2-fluorobenzoate
CID 7747780
6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
CID 21001350
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
CID 21000983
N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21000991
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
CID 21001051
6-chloro-2-(3,4-dimethoxyphenyl)-7-methyl-3-(2-phenylethoxy)chromen-4-one
CID 21001406

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
The IUPAC name of 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one (CID 21001040) is 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
The canonical SMILES for 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one is Cc1cc2oc(-c3ccccc3)c(OCc3c(F)cccc3Cl)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
The InChIKey is GDSGTATWEIRYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2FO3/c1-13-10-20-15(11-18(13)25)21(27)23(22(29-20)14-6-3-2-4-7-14)28-12-16-17(24)8-5-9-19(16)26/h2-11H,12H2,1H3.
What are the key properties of 6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one has a molecular weight of 429.27 g/mol, XLogP of 6.79, 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-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 21001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).