4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene

C14H12BrIO — CID 73333847

IUPAC4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
SMILESBrCc1ccc(I)c(OCc2ccccc2)c1
InChIInChI=1S/C14H12BrIO/c15-9-12-6-7-13(16)14(8-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyVQPOLQWIZNTZCO-UHFFFAOYSA-N
MW403.06 g/mol
LogP4.77
Rot. Bonds4

About 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene

4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene (PubChem CID 73333847) has the molecular formula C14H12BrIO and a molecular weight of 403.06 g/mol. Its IUPAC name is 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
PubChem CID73333847
Molecular FormulaC14H12BrIO
Molecular Weight403.06 g/mol
Exact Mass401.91
IUPAC Name4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
SMILESBrCc1ccc(I)c(OCc2ccccc2)c1
InChIInChI=1S/C14H12BrIO/c15-9-12-6-7-13(16)14(8-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyVQPOLQWIZNTZCO-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.06
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
5-(bromomethyl)-1,3-bis(phenylmethoxy)-2-propan-2-ylbenzene
CID 165177480
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
4-(bromomethyl)-2-ethoxy-1-[(4-iodophenyl)methoxy]benzene
CID 65479456
2-bromo-2-(4-iodo-3-phenylmethoxyphenyl)-1-phenylethanone
CID 87457053
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
CID 107691820
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114
2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
CID 54243876

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene?
The IUPAC name of 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene (CID 73333847) is 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene?
The canonical SMILES for 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene is BrCc1ccc(I)c(OCc2ccccc2)c1.
What is the InChIKey of 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene?
The InChIKey is VQPOLQWIZNTZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIO/c15-9-12-6-7-13(16)14(8-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene?
4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene has a molecular weight of 403.06 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene is sourced from PubChem (CID 73333847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).