1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol

C16H16BrClO2 — CID 82780069

IUPAC1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H16BrClO2/c1-3-20-15-7-5-4-6-13(15)16(2,19)12-9-8-11(17)10-14(12)18/h4-10,19H,3H2,1-2H3
InChIKeyZFAYKJWISOSPOS-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.76
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol

1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol (PubChem CID 82780069) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol
PubChem CID82780069
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol
SMILESCCOc1ccccc1C(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H16BrClO2/c1-3-20-15-7-5-4-6-13(15)16(2,19)12-9-8-11(17)10-14(12)18/h4-10,19H,3H2,1-2H3
InChIKeyZFAYKJWISOSPOS-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol (CID 82780069) is 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol is CCOc1ccccc1C(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol?
The InChIKey is ZFAYKJWISOSPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-3-20-15-7-5-4-6-13(15)16(2,19)12-9-8-11(17)10-14(12)18/h4-10,19H,3H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol?
1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol has a molecular weight of 355.66 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol is sourced from PubChem (CID 82780069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).