(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol

C15H14BrClO2 — CID 61100046

IUPAC(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H14BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9,15,18H,2H2,1H3
InChIKeyKOJZDDZVYDZNEH-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.58
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol

(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol (PubChem CID 61100046) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
PubChem CID61100046
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H14BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9,15,18H,2H2,1H3
InChIKeyKOJZDDZVYDZNEH-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol (CID 61100046) is (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol is CCOc1ccc(C(O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol?
The InChIKey is KOJZDDZVYDZNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9,15,18H,2H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol?
(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol has a molecular weight of 341.63 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanol is sourced from PubChem (CID 61100046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).