(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone

C15H12BrFO2 — CID 106790410

IUPAC(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFO2/c1-9-3-5-11(14(7-9)19-2)15(18)12-8-10(16)4-6-13(12)17/h3-8H,1-2H3
InChIKeyBJJWYOZCAJCRBJ-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.14
Rot. Bonds3

About (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone

(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone (PubChem CID 106790410) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
PubChem CID106790410
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)c1cc(Br)ccc1F
InChIInChI=1S/C15H12BrFO2/c1-9-3-5-11(14(7-9)19-2)15(18)12-8-10(16)4-6-13(12)17/h3-8H,1-2H3
InChIKeyBJJWYOZCAJCRBJ-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(2-bromo-4,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 43338945
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797925
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
CID 134514613

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone (CID 106790410) is (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone is COc1cc(C)ccc1C(=O)c1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone?
The InChIKey is BJJWYOZCAJCRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-9-3-5-11(14(7-9)19-2)15(18)12-8-10(16)4-6-13(12)17/h3-8H,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone?
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone has a molecular weight of 323.16 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 106790410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).