4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene

C19H14BrIO — CID 126702173

IUPAC4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)cc2)c(I)c1
InChIInChI=1S/C19H14BrIO/c20-16-8-11-18(19(21)12-16)15-6-9-17(10-7-15)22-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyUPRXHGSRIPTFRT-UHFFFAOYSA-N
MW465.13 g/mol
LogP6.30
Rot. Bonds4

About 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene

4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene (PubChem CID 126702173) has the molecular formula C19H14BrIO and a molecular weight of 465.13 g/mol. Its IUPAC name is 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
PubChem CID126702173
Molecular FormulaC19H14BrIO
Molecular Weight465.13 g/mol
Exact Mass463.93
IUPAC Name4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)cc2)c(I)c1
InChIInChI=1S/C19H14BrIO/c20-16-8-11-18(19(21)12-16)15-6-9-17(10-7-15)22-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyUPRXHGSRIPTFRT-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.13
LogP ≤ 56.30
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-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
2-bromo-6-phenylmethoxynaphthalene
CID 640595
4-(4-bromophenyl)-7-phenylmethoxy-2H-chromene
CID 170728384
2-phenyl-5-phenylmethoxyphenol
CID 123808909
1-bromo-4-phenylmethoxybenzene;oxolane
CID 175495084
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene?
The IUPAC name of 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene (CID 126702173) is 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene?
The canonical SMILES for 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene is Brc1ccc(-c2ccc(OCc3ccccc3)cc2)c(I)c1.
What is the InChIKey of 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene?
The InChIKey is UPRXHGSRIPTFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrIO/c20-16-8-11-18(19(21)12-16)15-6-9-17(10-7-15)22-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene?
4-bromo-2-iodo-1-(4-phenylmethoxyphenyl)benzene has a molecular weight of 465.13 g/mol, XLogP of 6.30, 4 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-(4-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 126702173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).