(2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone

C15H12BrIO — CID 58385804

IUPAC(2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(I)ccc2Br)cc1
InChIInChI=1S/C15H12BrIO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(17)7-8-14(13)16/h3-9H,2H2,1H3
InChIKeyDNKSRIHGWPCDPM-UHFFFAOYSA-N
MW415.07 g/mol
LogP4.85
Rot. Bonds3

About (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone

(2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone (PubChem CID 58385804) has the molecular formula C15H12BrIO and a molecular weight of 415.07 g/mol. Its IUPAC name is (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone
PubChem CID58385804
Molecular FormulaC15H12BrIO
Molecular Weight415.07 g/mol
Exact Mass413.91
IUPAC Name(2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cc(I)ccc2Br)cc1
InChIInChI=1S/C15H12BrIO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(17)7-8-14(13)16/h3-9H,2H2,1H3
InChIKeyDNKSRIHGWPCDPM-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-5-iodo-4-methylsulfanylphenyl)-(4-ethylphenyl)methanone
CID 69261943
(4-bromonaphthalen-1-yl)-(4-ethylphenyl)methanone
CID 79593276
(5-bromo-2-methylphenyl)-(4-ethylphenyl)methanone
CID 65306723
1-(2-bromo-5-ethylphenyl)ethanone
CID 83988474
2-bromo-5-iodobenzohydrazide
CID 3623021
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
4-ethylbenzoyl iodide
CID 89147367
benzyl 2-bromo-5-iodobenzoate
CID 59166567
(5-bromothiophen-3-yl)-(4-ethylphenyl)methanone
CID 105085904
[5-bromo-2-chloro-4-(trideuteriomethoxy)phenyl]-(4-ethylphenyl)methanone
CID 59235319
(4-ethylphenyl)-phenylmethanone;uranium
CID 163515743

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone?
The IUPAC name of (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone (CID 58385804) is (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2cc(I)ccc2Br)cc1.
What is the InChIKey of (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone?
The InChIKey is DNKSRIHGWPCDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(17)7-8-14(13)16/h3-9H,2H2,1H3.
What are the key properties of (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone?
(2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone has a molecular weight of 415.07 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-iodophenyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 58385804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).