4-Bromo-2-iodo-1-methoxybenzene

C7H6BrIO — CID 10979904

IUPAC4-bromo-2-iodo-1-methoxybenzene
SMILESCOC1=C(C=C(C=C1)Br)I
InChIInChI=1S/C7H6BrIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKeyCTPNHFOXNXLPCW-UHFFFAOYSA-N
MW312.93 g/mol
LogP3.20
Rot. Bonds1

About 4-Bromo-2-iodo-1-methoxybenzene

4-Bromo-2-iodo-1-methoxybenzene (PubChem CID 10979904) has the molecular formula C7H6BrIO and a molecular weight of 312.93 g/mol. Its IUPAC name is 4-bromo-2-iodo-1-methoxybenzene.

Molecular Properties

Compound Name4-Bromo-2-iodo-1-methoxybenzene
PubChem CID10979904
Molecular FormulaC7H6BrIO
Molecular Weight312.93 g/mol
Exact Mass311.86
IUPAC Name4-bromo-2-iodo-1-methoxybenzene
SMILESCOC1=C(C=C(C=C1)Br)I
InChIInChI=1S/C7H6BrIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
InChIKeyCTPNHFOXNXLPCW-UHFFFAOYSA-N
XLogP3.20
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.93
LogP ≤ 53.20
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

4-Bromodiphenyl Ether
CID 7565
4,4'-Dibromodiphenyl ether
CID 16305
2,4,6-Tribromoanisole
CID 11839
4-Bromoanisole
CID 7730
2-Bromoanisole
CID 11358
o-Iodoanisole
CID 68257
Benzene, 4-bromo-1,2-dimethoxy-
CID 76114
3-Bromoanisole
CID 16971
4-Bromophenetole
CID 68523
4-Iodoanisole
CID 69676
2,4-Dibromoanisole
CID 27011
2-Bromophenetole
CID 68500

Frequently Asked Questions

What is the IUPAC name of 4-Bromo-2-iodo-1-methoxybenzene?
The IUPAC name of 4-Bromo-2-iodo-1-methoxybenzene (CID 10979904) is 4-bromo-2-iodo-1-methoxybenzene.
What is the SMILES notation for 4-Bromo-2-iodo-1-methoxybenzene?
The canonical SMILES for 4-Bromo-2-iodo-1-methoxybenzene is COC1=C(C=C(C=C1)Br)I.
What is the InChIKey of 4-Bromo-2-iodo-1-methoxybenzene?
The InChIKey is CTPNHFOXNXLPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrIO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3.
What are the key properties of 4-Bromo-2-iodo-1-methoxybenzene?
4-Bromo-2-iodo-1-methoxybenzene has a molecular weight of 312.93 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Bromo-2-iodo-1-methoxybenzene is sourced from PubChem (CID 10979904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).