1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone

C15H12BrIO2 — CID 91863489

IUPAC1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(Br)cc(OCc2ccccc2)cc1I
InChIInChI=1S/C15H12BrIO2/c1-10(18)15-13(16)7-12(8-14(15)17)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyYDDVZTGPPPBFBR-UHFFFAOYSA-N
MW431.07 g/mol
LogP4.84
Rot. Bonds4

About 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone

1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone (PubChem CID 91863489) has the molecular formula C15H12BrIO2 and a molecular weight of 431.07 g/mol. Its IUPAC name is 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
PubChem CID91863489
Molecular FormulaC15H12BrIO2
Molecular Weight431.07 g/mol
Exact Mass429.91
IUPAC Name1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
SMILESCC(=O)c1c(Br)cc(OCc2ccccc2)cc1I
InChIInChI=1S/C15H12BrIO2/c1-10(18)15-13(16)7-12(8-14(15)17)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyYDDVZTGPPPBFBR-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.07
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863188
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
1-(2-fluoro-6-hydroxy-4-phenylmethoxyphenyl)ethanone
CID 91863185
1-(4-bromo-2-fluoro-6-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 155777830
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
CID 91863632
1-(5-bromo-3-fluoro-2-methyl-6-phenylmethoxyphenyl)ethanone
CID 91197149
1-[2-bromo-4-[(3-iodophenyl)methoxy]phenyl]ethanone
CID 91863535
2-acetyl-3-amino-5-phenylmethoxybenzonitrile
CID 91863661
1-[2-ethyl-4-phenylmethoxy-6-(trifluoromethyl)phenyl]ethanone
CID 91864206
2-bromo-1,3-dimethoxy-5-phenylmethoxybenzene
CID 11186357

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone?
The IUPAC name of 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone (CID 91863489) is 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone is CC(=O)c1c(Br)cc(OCc2ccccc2)cc1I.
What is the InChIKey of 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone?
The InChIKey is YDDVZTGPPPBFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIO2/c1-10(18)15-13(16)7-12(8-14(15)17)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone?
1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone has a molecular weight of 431.07 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone is sourced from PubChem (CID 91863489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).