(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

C18H18BrFO — CID 43248240

IUPAC(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2cc(F)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H18BrFO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8H,1-5H3
InChIKeyHOECYZBZPMIVPO-UHFFFAOYSA-N
MW349.24 g/mol
LogP5.36
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (PubChem CID 43248240) has the molecular formula C18H18BrFO and a molecular weight of 349.24 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
PubChem CID43248240
Molecular FormulaC18H18BrFO
Molecular Weight349.24 g/mol
Exact Mass348.05
IUPAC Name(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
SMILESCc1c(C)c(C)c(C(=O)c2cc(F)cc(Br)c2)c(C)c1C
InChIInChI=1S/C18H18BrFO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8H,1-5H3
InChIKeyHOECYZBZPMIVPO-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.24
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107979582
(3-bromo-5-fluorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625107
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 66423624
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017
(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43248253
(E)-3-(3-bromo-5-fluorophenyl)but-2-enoic acid
CID 166092470
bis(3,5-difluorophenyl)methanone
CID 2760569
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312
1-(3-bromo-5-fluorophenyl)-2-(4-methylphenyl)ethanone
CID 61078086
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-1-one
CID 82920792
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone (CID 43248240) is (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is Cc1c(C)c(C)c(C(=O)c2cc(F)cc(Br)c2)c(C)c1C.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
The InChIKey is HOECYZBZPMIVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFO/c1-9-10(2)12(4)17(13(5)11(9)3)18(21)14-6-15(19)8-16(20)7-14/h6-8H,1-5H3.
What are the key properties of (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone?
(3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone has a molecular weight of 349.24 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone is sourced from PubChem (CID 43248240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).