1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene

C14H12BrIO — CID 134498356

IUPAC1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
SMILESCc1c(Br)ccc(OCc2ccccc2)c1I
InChIInChI=1S/C14H12BrIO/c1-10-12(15)7-8-13(14(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyGNUXPLCGEFXZBR-UHFFFAOYSA-N
MW403.06 g/mol
LogP4.94
Rot. Bonds3

About 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene

1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene (PubChem CID 134498356) has the molecular formula C14H12BrIO and a molecular weight of 403.06 g/mol. Its IUPAC name is 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
PubChem CID134498356
Molecular FormulaC14H12BrIO
Molecular Weight403.06 g/mol
Exact Mass401.91
IUPAC Name1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
SMILESCc1c(Br)ccc(OCc2ccccc2)c1I
InChIInChI=1S/C14H12BrIO/c1-10-12(15)7-8-13(14(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyGNUXPLCGEFXZBR-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.06
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
1-(2-bromo-3-iodo-4-phenylmethoxyphenyl)ethanone
CID 91863476
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676
(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 171369301
3-bromo-5-iodo-6-phenylmethoxyquinoline
CID 163232020
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
CID 11035690
3-iodo-2,4-bis(phenylmethoxy)pyridine
CID 166168867
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene?
The IUPAC name of 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene (CID 134498356) is 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene is Cc1c(Br)ccc(OCc2ccccc2)c1I.
What is the InChIKey of 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene?
The InChIKey is GNUXPLCGEFXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIO/c1-10-12(15)7-8-13(14(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene?
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene has a molecular weight of 403.06 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene is sourced from PubChem (CID 134498356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).