(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone

C16H14BrFO3 — CID 62919039

IUPAC(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H14BrFO3/c1-3-21-14-7-5-11(17)9-12(14)16(19)10-4-6-15(20-2)13(18)8-10/h4-9H,3H2,1-2H3
InChIKeySBYHUKISVOWXKN-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.23
Rot. Bonds5

About (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone

(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 62919039) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID62919039
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H14BrFO3/c1-3-21-14-7-5-11(17)9-12(14)16(19)10-4-6-15(20-2)13(18)8-10/h4-9H,3H2,1-2H3
InChIKeySBYHUKISVOWXKN-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
CID 43311306
(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63732050
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(5-amino-2-fluoro-3-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 103298335

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone (CID 62919039) is (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone is CCOc1ccc(Br)cc1C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is SBYHUKISVOWXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-3-21-14-7-5-11(17)9-12(14)16(19)10-4-6-15(20-2)13(18)8-10/h4-9H,3H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone?
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 353.19 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 62919039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).