[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol

C14H12BrIO2 — CID 65479250

IUPAC[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C14H12BrIO2/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7,17H,8-9H2
InChIKeyCUOVEVZEGMWGGS-UHFFFAOYSA-N
MW419.06 g/mol
LogP4.12
Rot. Bonds4

About [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol

[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol (PubChem CID 65479250) has the molecular formula C14H12BrIO2 and a molecular weight of 419.06 g/mol. Its IUPAC name is [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
PubChem CID65479250
Molecular FormulaC14H12BrIO2
Molecular Weight419.06 g/mol
Exact Mass417.91
IUPAC Name[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
SMILESOCc1cc(Br)ccc1OCc1ccc(I)cc1
InChIInChI=1S/C14H12BrIO2/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7,17H,8-9H2
InChIKeyCUOVEVZEGMWGGS-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.06
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
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CID 2440173
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
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[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
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4-bromo-2-chloro-1-[(4-iodophenyl)methoxy]benzene
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[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
[5-bromo-2-(1,2-oxazol-4-ylmethoxy)phenyl]methanol
CID 60869592
3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 141145493
[5-bromo-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
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[5-bromo-2-(methoxymethoxy)phenyl]methanol
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3-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
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CID 894151

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol?
The IUPAC name of [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol (CID 65479250) is [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol?
The canonical SMILES for [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol is OCc1cc(Br)ccc1OCc1ccc(I)cc1.
What is the InChIKey of [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol?
The InChIKey is CUOVEVZEGMWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrIO2/c15-12-3-6-14(11(7-12)8-17)18-9-10-1-4-13(16)5-2-10/h1-7,17H,8-9H2.
What are the key properties of [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol?
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol has a molecular weight of 419.06 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 65479250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).