(3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone

C17H14BrClO — CID 115814752

IUPAC(3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone
SMILESO=C(c1cccc(C2CCC2)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H14BrClO/c18-15-9-3-8-14(16(15)19)17(20)13-7-2-6-12(10-13)11-4-1-5-11/h2-3,6-11H,1,4-5H2
InChIKeyPXBBJQIBURSEPU-UHFFFAOYSA-N
MW349.66 g/mol
LogP5.60
Rot. Bonds3

About (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone

(3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone (PubChem CID 115814752) has the molecular formula C17H14BrClO and a molecular weight of 349.66 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone
PubChem CID115814752
Molecular FormulaC17H14BrClO
Molecular Weight349.66 g/mol
Exact Mass347.99
IUPAC Name(3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone
SMILESO=C(c1cccc(C2CCC2)c1)c1cccc(Br)c1Cl
InChIInChI=1S/C17H14BrClO/c18-15-9-3-8-14(16(15)19)17(20)13-7-2-6-12(10-13)11-4-1-5-11/h2-3,6-11H,1,4-5H2
InChIKeyPXBBJQIBURSEPU-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.66
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602102
(4-aminophenyl)-(3-cyclobutylphenyl)methanone
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(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(3-cyclobutylphenyl)-thiophen-3-ylmethanone
CID 114601713
(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(3-cyclobutylphenyl)-(1-hydroxycyclopentyl)methanone
CID 103447908
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 115814484
3-bicyclo[3.1.0]hexanyl-(3-cyclobutylphenyl)methanone
CID 115814566
azetidin-3-yl-(3-cyclobutylphenyl)methanone
CID 114607630
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone (CID 115814752) is (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone is O=C(c1cccc(C2CCC2)c1)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone?
The InChIKey is PXBBJQIBURSEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClO/c18-15-9-3-8-14(16(15)19)17(20)13-7-2-6-12(10-13)11-4-1-5-11/h2-3,6-11H,1,4-5H2.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone?
(3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone has a molecular weight of 349.66 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone is sourced from PubChem (CID 115814752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).