(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol

C15H14BrIO2 — CID 61081064

IUPAC(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1ccccc1I
InChIInChI=1S/C15H14BrIO2/c1-2-19-14-8-7-10(16)9-12(14)15(18)11-5-3-4-6-13(11)17/h3-9,15,18H,2H2,1H3
InChIKeyMRLKXMWZSBHSHI-UHFFFAOYSA-N
MW433.08 g/mol
LogP4.53
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol

(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol (PubChem CID 61081064) has the molecular formula C15H14BrIO2 and a molecular weight of 433.08 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
PubChem CID61081064
Molecular FormulaC15H14BrIO2
Molecular Weight433.08 g/mol
Exact Mass431.92
IUPAC Name(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1ccccc1I
InChIInChI=1S/C15H14BrIO2/c1-2-19-14-8-7-10(16)9-12(14)15(18)11-5-3-4-6-13(11)17/h3-9,15,18H,2H2,1H3
InChIKeyMRLKXMWZSBHSHI-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.08
LogP ≤ 54.53
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-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
CID 65306945
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
CID 107991194
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
(2-ethoxy-5-methylphenyl)-(2-methylphenyl)methanol
CID 62302666
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-phenylpropan-2-ol
CID 171262949

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol (CID 61081064) is (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol is CCOc1ccc(Br)cc1C(O)c1ccccc1I.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol?
The InChIKey is MRLKXMWZSBHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIO2/c1-2-19-14-8-7-10(16)9-12(14)15(18)11-5-3-4-6-13(11)17/h3-9,15,18H,2H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol?
(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol has a molecular weight of 433.08 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol is sourced from PubChem (CID 61081064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).