(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol

C15H14BrIO — CID 114033085

IUPAC(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2I)cc1
InChIInChI=1S/C15H14BrIO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9,15,18H,2H2,1H3
InChIKeyWAEFUXKQZZTBRZ-UHFFFAOYSA-N
MW417.08 g/mol
LogP4.70
Rot. Bonds3

About (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol

(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol (PubChem CID 114033085) has the molecular formula C15H14BrIO and a molecular weight of 417.08 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
PubChem CID114033085
Molecular FormulaC15H14BrIO
Molecular Weight417.08 g/mol
Exact Mass415.93
IUPAC Name(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)c2cc(Br)ccc2I)cc1
InChIInChI=1S/C15H14BrIO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9,15,18H,2H2,1H3
InChIKeyWAEFUXKQZZTBRZ-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.08
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dibromophenyl)-(4-propylphenyl)methanol
CID 114374739
4-bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 160871203
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
1,4-dibromo-2-[chloro-(4-ethylphenyl)methyl]benzene
CID 55199070
(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303353
(5-bromo-2-methoxyphenyl)-(3-chloro-4-iodophenyl)methanol
CID 103210037
(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol
CID 114029441
(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61081064
(2,4-dibromophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 107955306
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
(2,4-dibromophenyl)-(3-ethylphenyl)methanol
CID 107947696
4-bromo-2-[chloro-(4-ethoxyphenyl)methyl]-1-iodobenzene
CID 114033411

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol?
The IUPAC name of (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol (CID 114033085) is (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol?
The canonical SMILES for (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol is CCc1ccc(C(O)c2cc(Br)ccc2I)cc1.
What is the InChIKey of (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol?
The InChIKey is WAEFUXKQZZTBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrIO/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h3-9,15,18H,2H2,1H3.
What are the key properties of (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol?
(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol has a molecular weight of 417.08 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol is sourced from PubChem (CID 114033085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).