(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone

C16H13BrClFO2 — CID 105398308

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C16H13BrClFO2/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9H,1-2H3
InChIKeyZOZUMSSATFHTFS-UHFFFAOYSA-N
MW371.63 g/mol
LogP5.26
Rot. Bonds4

About (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone

(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 105398308) has the molecular formula C16H13BrClFO2 and a molecular weight of 371.63 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID105398308
Molecular FormulaC16H13BrClFO2
Molecular Weight371.63 g/mol
Exact Mass369.98
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)c2cc(Cl)c(Br)cc2F)c1
InChIInChI=1S/C16H13BrClFO2/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9H,1-2H3
InChIKeyZOZUMSSATFHTFS-UHFFFAOYSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.63
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 107944669
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(2-amino-4-bromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 116591865
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 105398427
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913
1-(4-bromo-5-chloro-2-fluorophenyl)-2-chloropropan-1-one
CID 105398210

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone (CID 105398308) is (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)c2cc(Cl)c(Br)cc2F)c1.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is ZOZUMSSATFHTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFO2/c1-9(2)21-11-5-3-4-10(6-11)16(20)12-7-14(18)13(17)8-15(12)19/h3-9H,1-2H3.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone?
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 371.63 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 105398308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).