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

C16H15BrO3 — CID 43339931

IUPAC(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C16H15BrO3/c1-3-20-13-7-4-11(5-8-13)16(18)14-10-12(17)6-9-15(14)19-2/h4-10H,3H2,1-2H3
InChIKeyCYWWAHFFNAWRRT-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.09
Rot. Bonds5

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

(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone (PubChem CID 43339931) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
PubChem CID43339931
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C16H15BrO3/c1-3-20-13-7-4-11(5-8-13)16(18)14-10-12(17)6-9-15(14)19-2/h4-10H,3H2,1-2H3
InChIKeyCYWWAHFFNAWRRT-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
[4-(aminomethyl)phenyl]-(5-bromo-2-methoxyphenyl)methanone
CID 116917510
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(2-amino-5-bromophenyl)-(7-ethoxynaphthalen-2-yl)methanone
CID 138983241
(5-bromo-2-chloro-3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 89283810
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone (CID 43339931) is (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc(Br)ccc2OC)cc1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is CYWWAHFFNAWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-3-20-13-7-4-11(5-8-13)16(18)14-10-12(17)6-9-15(14)19-2/h4-10H,3H2,1-2H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone?
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 43339931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).