1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene

C13H9BrFIO — CID 171367726

IUPAC1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene
SMILESFc1cc(Br)c(OCc2ccccc2)c(I)c1
InChIInChI=1S/C13H9BrFIO/c14-11-6-10(15)7-12(16)13(11)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyROBVZORMDQPDJT-UHFFFAOYSA-N
MW407.02 g/mol
LogP4.77
Rot. Bonds3

About 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene

1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene (PubChem CID 171367726) has the molecular formula C13H9BrFIO and a molecular weight of 407.02 g/mol. Its IUPAC name is 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene
PubChem CID171367726
Molecular FormulaC13H9BrFIO
Molecular Weight407.02 g/mol
Exact Mass405.89
IUPAC Name1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene
SMILESFc1cc(Br)c(OCc2ccccc2)c(I)c1
InChIInChI=1S/C13H9BrFIO/c14-11-6-10(15)7-12(16)13(11)17-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyROBVZORMDQPDJT-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.02
LogP ≤ 54.77
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-1-iodo-4-phenylmethoxybenzene
CID 134128585
4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene
CID 175348033
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
1-iodo-2-phenylmethoxy-3,5-bis(trifluoromethyl)benzene
CID 90300169
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
1,3-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene?
The IUPAC name of 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene (CID 171367726) is 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene is Fc1cc(Br)c(OCc2ccccc2)c(I)c1.
What is the InChIKey of 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene?
The InChIKey is ROBVZORMDQPDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFIO/c14-11-6-10(15)7-12(16)13(11)17-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene?
1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene has a molecular weight of 407.02 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoro-3-iodo-2-phenylmethoxybenzene is sourced from PubChem (CID 171367726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).