(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol

C14H11BrClIO2 — CID 103210037

IUPAC(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11BrClIO2/c1-19-13-5-3-9(15)7-10(13)14(18)8-2-4-12(17)11(16)6-8/h2-7,14,18H,1H3
InChIKeyQANPPZDMKXTUMF-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.80
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol

(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol (PubChem CID 103210037) has the molecular formula C14H11BrClIO2 and a molecular weight of 453.50 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
PubChem CID103210037
Molecular FormulaC14H11BrClIO2
Molecular Weight453.50 g/mol
Exact Mass451.87
IUPAC Name(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
SMILESCOc1ccc(Br)cc1C(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H11BrClIO2/c1-19-13-5-3-9(15)7-10(13)14(18)8-2-4-12(17)11(16)6-8/h2-7,14,18H,1H3
InChIKeyQANPPZDMKXTUMF-UHFFFAOYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.80
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

(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
4-[bromo-(3-chloro-4-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 103210804
4-bromo-2-[bromo-(3-chloro-4-iodophenyl)methyl]-1-ethoxybenzene
CID 103211002
(3-chloro-4-iodophenyl)-(2,4,5-trimethylphenyl)methanol
CID 103216864
(5-bromo-2-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 63893821
(S)-(5-bromo-2-methoxyphenyl)-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]methanol
CID 129406581
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216677
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
(5-bromo-2-methoxyphenyl)-spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-ylmethanol
CID 134498603

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol (CID 103210037) is (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol is COc1ccc(Br)cc1C(O)c1ccc(I)c(Cl)c1.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol?
The InChIKey is QANPPZDMKXTUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClIO2/c1-19-13-5-3-9(15)7-10(13)14(18)8-2-4-12(17)11(16)6-8/h2-7,14,18H,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol?
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol has a molecular weight of 453.50 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol is sourced from PubChem (CID 103210037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).