1-bromo-4-iodo-2-phenylmethoxybenzene

C13H10BrIO — CID 11516618

IUPAC1-bromo-4-iodo-2-phenylmethoxybenzene
SMILESBrc1ccc(I)cc1OCc1ccccc1
InChIInChI=1S/C13H10BrIO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQVTXKRNPVVCAJD-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.63
Rot. Bonds3

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

1-bromo-4-iodo-2-phenylmethoxybenzene (PubChem CID 11516618) has the molecular formula C13H10BrIO and a molecular weight of 389.03 g/mol. Its IUPAC name is 1-bromo-4-iodo-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-4-iodo-2-phenylmethoxybenzene
PubChem CID11516618
Molecular FormulaC13H10BrIO
Molecular Weight389.03 g/mol
Exact Mass387.90
IUPAC Name1-bromo-4-iodo-2-phenylmethoxybenzene
SMILESBrc1ccc(I)cc1OCc1ccccc1
InChIInChI=1S/C13H10BrIO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQVTXKRNPVVCAJD-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

4-iodo-2-phenylmethoxyaniline
CID 66756754
1-bromo-3-chloro-2-iodo-4-phenylmethoxybenzene
CID 146035383
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
4-(4-bromo-3-phenylmethoxyphenyl)benzaldehyde
CID 170459869
1,4-dibromo-2-[(4-bromophenyl)methoxy]benzene
CID 59330950
3-(4-iodo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68631589
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
benzyl 2-bromo-5-iodobenzoate
CID 59166567
4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
4-bromo-N-cyclohexyl-3-phenylmethoxyaniline
CID 172650668
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodo-2-phenylmethoxybenzene?
The IUPAC name of 1-bromo-4-iodo-2-phenylmethoxybenzene (CID 11516618) is 1-bromo-4-iodo-2-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-4-iodo-2-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-4-iodo-2-phenylmethoxybenzene is Brc1ccc(I)cc1OCc1ccccc1.
What is the InChIKey of 1-bromo-4-iodo-2-phenylmethoxybenzene?
The InChIKey is QVTXKRNPVVCAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrIO/c14-12-7-6-11(15)8-13(12)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-bromo-4-iodo-2-phenylmethoxybenzene?
1-bromo-4-iodo-2-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 1-bromo-4-iodo-2-phenylmethoxybenzene is sourced from PubChem (CID 11516618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).