(2-bromo-4-iodo-3-methoxyphenyl)methanol

C8H8BrIO2 — CID 171007673

IUPAC(2-bromo-4-iodo-3-methoxyphenyl)methanol
SMILESCOc1c(I)ccc(CO)c1Br
InChIInChI=1S/C8H8BrIO2/c1-12-8-6(10)3-2-5(4-11)7(8)9/h2-3,11H,4H2,1H3
InChIKeyWNKNGNMQNBDJPJ-UHFFFAOYSA-N
MW342.96 g/mol
LogP2.55
Rot. Bonds2

About (2-bromo-4-iodo-3-methoxyphenyl)methanol

(2-bromo-4-iodo-3-methoxyphenyl)methanol (PubChem CID 171007673) has the molecular formula C8H8BrIO2 and a molecular weight of 342.96 g/mol. Its IUPAC name is (2-bromo-4-iodo-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-iodo-3-methoxyphenyl)methanol
PubChem CID171007673
Molecular FormulaC8H8BrIO2
Molecular Weight342.96 g/mol
Exact Mass341.88
IUPAC Name(2-bromo-4-iodo-3-methoxyphenyl)methanol
SMILESCOc1c(I)ccc(CO)c1Br
InChIInChI=1S/C8H8BrIO2/c1-12-8-6(10)3-2-5(4-11)7(8)9/h2-3,11H,4H2,1H3
InChIKeyWNKNGNMQNBDJPJ-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.96
LogP ≤ 52.55
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

(2-bromo-4-fluoro-3-methoxyphenyl)methanol
CID 131627994
3-bromo-1-iodo-2-methoxy-4-methylbenzene
CID 171033325
(3-bromo-2-fluoro-4-iodophenyl)methanol
CID 131332722
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
(3-bromo-1,4-dimethoxynaphthalen-2-yl)methanol
CID 10518090
1,4-bis(bromomethyl)-2,3-dimethoxybenzene
CID 15760230
3-(hydroxymethyl)-5-iodo-4-methoxybenzonitrile
CID 131285018
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308
[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
CID 91618259
(2-bromo-3,4-dimethylphenyl)methanol
CID 66602570
1,3-diiodo-2-methoxybenzene
CID 12610037

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-iodo-3-methoxyphenyl)methanol?
The IUPAC name of (2-bromo-4-iodo-3-methoxyphenyl)methanol (CID 171007673) is (2-bromo-4-iodo-3-methoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-iodo-3-methoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-iodo-3-methoxyphenyl)methanol is COc1c(I)ccc(CO)c1Br.
What is the InChIKey of (2-bromo-4-iodo-3-methoxyphenyl)methanol?
The InChIKey is WNKNGNMQNBDJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrIO2/c1-12-8-6(10)3-2-5(4-11)7(8)9/h2-3,11H,4H2,1H3.
What are the key properties of (2-bromo-4-iodo-3-methoxyphenyl)methanol?
(2-bromo-4-iodo-3-methoxyphenyl)methanol has a molecular weight of 342.96 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-iodo-3-methoxyphenyl)methanol is sourced from PubChem (CID 171007673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).