(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol

C15H14BrIO2 — CID 104661098

IUPAC(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
SMILESCCOc1ccc(C(O)c2ccccc2I)cc1Br
InChIInChI=1S/C15H14BrIO2/c1-2-19-14-8-7-10(9-12(14)16)15(18)11-5-3-4-6-13(11)17/h3-9,15,18H,2H2,1H3
InChIKeySIJCYTGXTGTVPE-UHFFFAOYSA-N
MW433.08 g/mol
LogP4.53
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol

(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol (PubChem CID 104661098) has the molecular formula C15H14BrIO2 and a molecular weight of 433.08 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
PubChem CID104661098
Molecular FormulaC15H14BrIO2
Molecular Weight433.08 g/mol
Exact Mass431.92
IUPAC Name(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
SMILESCCOc1ccc(C(O)c2ccccc2I)cc1Br
InChIInChI=1S/C15H14BrIO2/c1-2-19-14-8-7-10(9-12(14)16)15(18)11-5-3-4-6-13(11)17/h3-9,15,18H,2H2,1H3
InChIKeySIJCYTGXTGTVPE-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

(4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61100042
(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61081064
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
(3-bromo-4-propoxyphenyl)-(2-chlorophenyl)methanol
CID 104661270
(3-bromo-4-fluorophenyl)-(2-iodophenyl)methanol
CID 79746628
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 104661035
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 104661288
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
CID 104661372
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol (CID 104661098) is (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol is CCOc1ccc(C(O)c2ccccc2I)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol?
The InChIKey is SIJCYTGXTGTVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIO2/c1-2-19-14-8-7-10(9-12(14)16)15(18)11-5-3-4-6-13(11)17/h3-9,15,18H,2H2,1H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol?
(3-bromo-4-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 (3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol is sourced from PubChem (CID 104661098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).