(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone

C16H14BrFO2 — CID 43339553

IUPAC(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3
InChIKeyJDASLLWNAOINHS-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.61
Rot. Bonds4

About (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone

(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 43339553) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID43339553
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C16H14BrFO2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3
InChIKeyJDASLLWNAOINHS-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79757463
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
(5-bromo-2-fluorophenyl)-(3,4,5-trifluorophenyl)methanone
CID 79743346
(5-bromo-2-fluorophenyl)-(4-butan-2-ylphenyl)methanone
CID 43337782
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanone
CID 43337748
(5-bromo-2-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 114894222
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 107944446
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)phenyl]methanone
CID 84604720
(5-bromo-2-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 46929742
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone (CID 43339553) is (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)c2cc(Br)ccc2F)cc1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is JDASLLWNAOINHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c1-10(2)20-13-6-3-11(4-7-13)16(19)14-9-12(17)5-8-15(14)18/h3-10H,1-2H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 337.19 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 43339553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).