(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol

C15H14BrIO3 — CID 105057022

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
SMILESCOc1cc(C(O)c2cccc(I)c2)c(OC)cc1Br
InChIInChI=1S/C15H14BrIO3/c1-19-13-8-12(16)14(20-2)7-11(13)15(18)9-4-3-5-10(17)6-9/h3-8,15,18H,1-2H3
InChIKeyILEBEEGLQGNBOS-UHFFFAOYSA-N
MW449.08 g/mol
LogP4.15
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol

(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol (PubChem CID 105057022) has the molecular formula C15H14BrIO3 and a molecular weight of 449.08 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
PubChem CID105057022
Molecular FormulaC15H14BrIO3
Molecular Weight449.08 g/mol
Exact Mass447.92
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol
SMILESCOc1cc(C(O)c2cccc(I)c2)c(OC)cc1Br
InChIInChI=1S/C15H14BrIO3/c1-19-13-8-12(16)14(20-2)7-11(13)15(18)9-4-3-5-10(17)6-9/h3-8,15,18H,1-2H3
InChIKeyILEBEEGLQGNBOS-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.08
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(4-bromo-2,5-dimethoxyphenyl)-(3-bromo-2-methylphenyl)methanol
CID 105056944
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-2-methylphenyl)methanol
CID 107098959
1-(2-bromo-4,5-dimethoxyphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 43485031
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 105057040
(4-bromo-2,5-dimethoxyphenyl)-(2,3-dichlorophenyl)methanol
CID 105057027
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895832
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
(4-bromo-2,5-dimethoxyphenyl)-(5-bromofuran-2-yl)methanol
CID 105057068
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol (CID 105057022) is (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol is COc1cc(C(O)c2cccc(I)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol?
The InChIKey is ILEBEEGLQGNBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIO3/c1-19-13-8-12(16)14(20-2)7-11(13)15(18)9-4-3-5-10(17)6-9/h3-8,15,18H,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol?
(4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol has a molecular weight of 449.08 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(3-iodophenyl)methanol is sourced from PubChem (CID 105057022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).