(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone

C14H9Br3O — CID 81467352

IUPAC(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C14H9Br3O/c1-8-5-13(17)11(7-12(8)16)14(18)9-3-2-4-10(15)6-9/h2-7H,1H3
InChIKeyPFWLYQUVHZTTOH-UHFFFAOYSA-N
MW432.94 g/mol
LogP5.51
Rot. Bonds2

About (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone

(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone (PubChem CID 81467352) has the molecular formula C14H9Br3O and a molecular weight of 432.94 g/mol. Its IUPAC name is (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
PubChem CID81467352
Molecular FormulaC14H9Br3O
Molecular Weight432.94 g/mol
Exact Mass429.82
IUPAC Name(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
SMILESCc1cc(Br)c(C(=O)c2cccc(Br)c2)cc1Br
InChIInChI=1S/C14H9Br3O/c1-8-5-13(17)11(7-12(8)16)14(18)9-3-2-4-10(15)6-9/h2-7H,1H3
InChIKeyPFWLYQUVHZTTOH-UHFFFAOYSA-N
XLogP5.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.94
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 114019744
(2-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81468585
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756950
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830603
(3-bromophenyl)-(4-bromothiophen-3-yl)methanone
CID 10831406
[2-(bromomethyl)phenyl]-(3-bromophenyl)methanone
CID 67346438
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(2,5-dibromo-4-methylphenyl)-(2-ethoxyphenyl)methanone
CID 81467462
(2,4-dibromophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 107944669
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The IUPAC name of (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone (CID 81467352) is (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone.
What is the SMILES notation for (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The canonical SMILES for (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone is Cc1cc(Br)c(C(=O)c2cccc(Br)c2)cc1Br.
What is the InChIKey of (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
The InChIKey is PFWLYQUVHZTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br3O/c1-8-5-13(17)11(7-12(8)16)14(18)9-3-2-4-10(15)6-9/h2-7H,1H3.
What are the key properties of (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone?
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone has a molecular weight of 432.94 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone is sourced from PubChem (CID 81467352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).