7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one

C24H18ClFO5 — CID 2018267

IUPAC7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
SMILESCOc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1
InChIInChI=1S/C24H18ClFO5/c1-14-24(31-18-7-5-17(28-2)6-8-18)23(27)20-10-9-19(12-22(20)30-14)29-13-15-3-4-16(26)11-21(15)25/h3-12H,13H2,1-2H3
InChIKeyNONVQIOQUSIISX-UHFFFAOYSA-N
MW440.85 g/mol
LogP6.27
Rot. Bonds6

About 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one

7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one (PubChem CID 2018267) has the molecular formula C24H18ClFO5 and a molecular weight of 440.85 g/mol. Its IUPAC name is 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one.

Molecular Properties

Compound Name7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
PubChem CID2018267
Molecular FormulaC24H18ClFO5
Molecular Weight440.85 g/mol
Exact Mass440.08
IUPAC Name7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
SMILESCOc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1
InChIInChI=1S/C24H18ClFO5/c1-14-24(31-18-7-5-17(28-2)6-8-18)23(27)20-10-9-19(12-22(20)30-14)29-13-15-3-4-16(26)11-21(15)25/h3-12H,13H2,1-2H3
InChIKeyNONVQIOQUSIISX-UHFFFAOYSA-N
XLogP6.27
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.85
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[7-[(2-chloro-4-fluorophenyl)methoxy]-2-methyl-4-oxochromen-3-yl]oxybenzoate
CID 2009831
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
ethyl 4-[7-[(2-chloro-4-fluorophenyl)methoxy]-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
CID 95398773
7-[(2,4-dichlorophenyl)methoxy]-6-ethyl-3-(4-fluorophenoxy)-2-methylchromen-4-one
CID 2423761
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
7-[(2-chloro-4-fluorophenyl)methoxy]-4-propylchromen-2-one
CID 886164
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)-4-methylchromen-2-one
CID 44963509
7-[(2-chloro-4-fluorophenyl)methoxy]-4-phenylchromen-2-one
CID 2235023
7-[(3,4-dichlorophenyl)methoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one
CID 2016693
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 1301143
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one?
The IUPAC name of 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one (CID 2018267) is 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one.
What is the SMILES notation for 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one?
The canonical SMILES for 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one is COc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1.
What is the InChIKey of 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one?
The InChIKey is NONVQIOQUSIISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFO5/c1-14-24(31-18-7-5-17(28-2)6-8-18)23(27)20-10-9-19(12-22(20)30-14)29-13-15-3-4-16(26)11-21(15)25/h3-12H,13H2,1-2H3.
What are the key properties of 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one?
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one has a molecular weight of 440.85 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one is sourced from PubChem (CID 2018267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).