7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one

C26H16F2O6 — CID 4967566

IUPAC7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one
SMILESCOc1ccc2c(-c3cc4ccc(OCc5c(F)cccc5F)cc4oc3=O)cc(=O)oc2c1
InChIInChI=1S/C26H16F2O6/c1-31-15-7-8-17-18(12-25(29)33-24(17)10-15)19-9-14-5-6-16(11-23(14)34-26(19)30)32-13-20-21(27)3-2-4-22(20)28/h2-12H,13H2,1H3
InChIKeyKBLRLMOXZAZJKB-UHFFFAOYSA-N
MW462.40 g/mol
LogP5.43
Rot. Bonds5

About 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one

7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one (PubChem CID 4967566) has the molecular formula C26H16F2O6 and a molecular weight of 462.40 g/mol. Its IUPAC name is 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one.

Molecular Properties

Compound Name7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one
PubChem CID4967566
Molecular FormulaC26H16F2O6
Molecular Weight462.40 g/mol
Exact Mass462.09
IUPAC Name7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one
SMILESCOc1ccc2c(-c3cc4ccc(OCc5c(F)cccc5F)cc4oc3=O)cc(=O)oc2c1
InChIInChI=1S/C26H16F2O6/c1-31-15-7-8-17-18(12-25(29)33-24(17)10-15)19-9-14-5-6-16(11-23(14)34-26(19)30)32-13-20-21(27)3-2-4-22(20)28/h2-12H,13H2,1H3
InChIKeyKBLRLMOXZAZJKB-UHFFFAOYSA-N
XLogP5.43
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-[(2-chloro-6-fluorophenyl)methoxy]-3-(3,4-dimethoxyphenyl)chromen-2-one
CID 2064308
7-(7-methoxy-2-oxochromen-3-yl)-4-methylchromen-2-one
CID 57040654
7-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylchromen-2-one
CID 44963468
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
[2-oxo-4-(2-oxochromen-3-yl)chromen-7-yl] 2,2-dimethylpropanoate
CID 7198205
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
7-[(2-fluorophenyl)methoxy]-3,4-dimethylchromen-2-one
CID 744840

Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one?
The IUPAC name of 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one (CID 4967566) is 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one.
What is the SMILES notation for 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one?
The canonical SMILES for 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one is COc1ccc2c(-c3cc4ccc(OCc5c(F)cccc5F)cc4oc3=O)cc(=O)oc2c1.
What is the InChIKey of 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one?
The InChIKey is KBLRLMOXZAZJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F2O6/c1-31-15-7-8-17-18(12-25(29)33-24(17)10-15)19-9-14-5-6-16(11-23(14)34-26(19)30)32-13-20-21(27)3-2-4-22(20)28/h2-12H,13H2,1H3.
What are the key properties of 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one?
7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one has a molecular weight of 462.40 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-difluorophenyl)methoxy]-3-(7-methoxy-2-oxochromen-4-yl)chromen-2-one is sourced from PubChem (CID 4967566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).