[2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone

C23H19Br2FO3 — CID 173236222

IUPAC[2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2F)c(Oc2c(Br)cccc2Br)cc1C(C)C
InChIInChI=1S/C23H19Br2FO3/c1-13(2)15-11-21(29-23-17(24)8-6-9-18(23)25)16(12-20(15)28-3)22(27)14-7-4-5-10-19(14)26/h4-13H,1-3H3
InChIKeyGCWDEFIMJORIMI-UHFFFAOYSA-N
MW522.21 g/mol
LogP7.51
Rot. Bonds6

About [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone

[2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone (PubChem CID 173236222) has the molecular formula C23H19Br2FO3 and a molecular weight of 522.21 g/mol. Its IUPAC name is [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone
PubChem CID173236222
Molecular FormulaC23H19Br2FO3
Molecular Weight522.21 g/mol
Exact Mass519.97
IUPAC Name[2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone
SMILESCOc1cc(C(=O)c2ccccc2F)c(Oc2c(Br)cccc2Br)cc1C(C)C
InChIInChI=1S/C23H19Br2FO3/c1-13(2)15-11-21(29-23-17(24)8-6-9-18(23)25)16(12-20(15)28-3)22(27)14-7-4-5-10-19(14)26/h4-13H,1-3H3
InChIKeyGCWDEFIMJORIMI-UHFFFAOYSA-N
XLogP7.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.21
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone with MolForge

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Related Compounds

methyl 2-[3,5-dibromo-4-[4-methoxy-2-(2-methylbenzoyl)-5-propan-2-ylphenoxy]phenyl]acetate
CID 70034918
2-[4-(2-benzoyl-4-methoxy-5-propan-2-ylphenoxy)-3,5-dibromophenyl]acetic acid
CID 18386352
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 105056401
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
2-[3,5-dibromo-4-[2-(3-ethynylbenzoyl)-4-methoxy-5-propan-2-ylphenoxy]phenyl]acetic acid
CID 18386379
[2-(2,6-dibromophenoxy)-5-[(3-methylphenyl)methoxy]-4-propan-2-ylphenyl]-(3-methylphenyl)methanone
CID 141073479
2-[3,5-dibromo-4-[2-(3,5-dimethylbenzoyl)-4-methoxy-5-propan-2-ylphenoxy]phenyl]acetic acid
CID 70035632
(3-bromo-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 106644895
(3-chloro-4,5-dimethoxyphenyl)-(2-fluorophenyl)methanone
CID 62502800
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone?
The IUPAC name of [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone (CID 173236222) is [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone?
The canonical SMILES for [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone is COc1cc(C(=O)c2ccccc2F)c(Oc2c(Br)cccc2Br)cc1C(C)C.
What is the InChIKey of [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone?
The InChIKey is GCWDEFIMJORIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Br2FO3/c1-13(2)15-11-21(29-23-17(24)8-6-9-18(23)25)16(12-20(15)28-3)22(27)14-7-4-5-10-19(14)26/h4-13H,1-3H3.
What are the key properties of [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone?
[2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone has a molecular weight of 522.21 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dibromophenoxy)-5-methoxy-4-propan-2-ylphenyl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 173236222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).