(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone

C18H19BrO — CID 115481807

IUPAC(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(Br)ccc2C)cc1CC
InChIInChI=1S/C18H19BrO/c1-4-13-7-8-15(10-14(13)5-2)18(20)17-11-16(19)9-6-12(17)3/h6-11H,4-5H2,1-3H3
InChIKeyRZFBIEYFDMEMIO-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.11
Rot. Bonds4

About (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone

(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone (PubChem CID 115481807) has the molecular formula C18H19BrO and a molecular weight of 331.25 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
PubChem CID115481807
Molecular FormulaC18H19BrO
Molecular Weight331.25 g/mol
Exact Mass330.06
IUPAC Name(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(Br)ccc2C)cc1CC
InChIInChI=1S/C18H19BrO/c1-4-13-7-8-15(10-14(13)5-2)18(20)17-11-16(19)9-6-12(17)3/h6-11H,4-5H2,1-3H3
InChIKeyRZFBIEYFDMEMIO-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
(5-bromo-2-methylphenyl)-(4-tert-butylphenyl)methanone
CID 65306382
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887
(3-amino-5-bromophenyl)-(3,4-diethylphenyl)methanone
CID 115483328
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(5-bromo-2-methylphenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
CID 107293289
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(2,4-diaminophenyl)-(3,4-diethylphenyl)methanone
CID 115483333
(5-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963954

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone?
The IUPAC name of (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone (CID 115481807) is (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone?
The canonical SMILES for (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone is CCc1ccc(C(=O)c2cc(Br)ccc2C)cc1CC.
What is the InChIKey of (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone?
The InChIKey is RZFBIEYFDMEMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO/c1-4-13-7-8-15(10-14(13)5-2)18(20)17-11-16(19)9-6-12(17)3/h6-11H,4-5H2,1-3H3.
What are the key properties of (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone?
(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone has a molecular weight of 331.25 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone is sourced from PubChem (CID 115481807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).