2-bromo-1-iodo-4-phenylmethoxybenzene

C13H10BrIO — CID 134128585

IUPAC2-bromo-1-iodo-4-phenylmethoxybenzene
SMILESBrc1cc(OCc2ccccc2)ccc1I
InChIInChI=1S/C13H10BrIO/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQNYMIPHQYFYWSX-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.63
Rot. Bonds3

About 2-bromo-1-iodo-4-phenylmethoxybenzene

2-bromo-1-iodo-4-phenylmethoxybenzene (PubChem CID 134128585) has the molecular formula C13H10BrIO and a molecular weight of 389.03 g/mol. Its IUPAC name is 2-bromo-1-iodo-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-1-iodo-4-phenylmethoxybenzene
PubChem CID134128585
Molecular FormulaC13H10BrIO
Molecular Weight389.03 g/mol
Exact Mass387.90
IUPAC Name2-bromo-1-iodo-4-phenylmethoxybenzene
SMILESBrc1cc(OCc2ccccc2)ccc1I
InChIInChI=1S/C13H10BrIO/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQNYMIPHQYFYWSX-UHFFFAOYSA-N
XLogP4.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.63
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

1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
2-bromo-1-(difluoromethyl)-4-phenylmethoxybenzene
CID 154815122
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
CID 126702173
1-(2-bromo-6-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863489
2-bromo-6-phenylmethoxynaphthalene
CID 640595
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-iodo-4-phenylmethoxybenzene?
The IUPAC name of 2-bromo-1-iodo-4-phenylmethoxybenzene (CID 134128585) is 2-bromo-1-iodo-4-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-1-iodo-4-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-1-iodo-4-phenylmethoxybenzene is Brc1cc(OCc2ccccc2)ccc1I.
What is the InChIKey of 2-bromo-1-iodo-4-phenylmethoxybenzene?
The InChIKey is QNYMIPHQYFYWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIO/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-bromo-1-iodo-4-phenylmethoxybenzene?
2-bromo-1-iodo-4-phenylmethoxybenzene has a molecular weight of 389.03 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-iodo-4-phenylmethoxybenzene is sourced from PubChem (CID 134128585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).