(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone

C16H14BrFO2 — CID 104656819

IUPAC(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C)c(F)c2)cc1Br
InChIInChI=1S/C16H14BrFO2/c1-3-20-15-7-6-11(8-13(15)17)16(19)12-5-4-10(2)14(18)9-12/h4-9H,3H2,1-2H3
InChIKeyYVMVLMFXDWUNJJ-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.53
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone

(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 104656819) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID104656819
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2ccc(C)c(F)c2)cc1Br
InChIInChI=1S/C16H14BrFO2/c1-3-20-15-7-6-11(8-13(15)17)16(19)12-5-4-10(2)14(18)9-12/h4-9H,3H2,1-2H3
InChIKeyYVMVLMFXDWUNJJ-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(2-amino-4,5-difluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662551
(5-amino-2-fluorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662550
(3-bromo-4-propoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998416
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012
bis(3,4-diethoxyphenyl)methanone
CID 135325793
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(3-bromo-4-propoxyphenyl)-(3,5-difluorophenyl)methanone
CID 104656996

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone (CID 104656819) is (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone is CCOc1ccc(C(=O)c2ccc(C)c(F)c2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YVMVLMFXDWUNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-3-20-15-7-6-11(8-13(15)17)16(19)12-5-4-10(2)14(18)9-12/h4-9H,3H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone?
(3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 337.19 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 104656819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).