2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol

C18H20BrNO2 — CID 91057682

IUPAC2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol
SMILESOC(C1CNCCO1)C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c19-15-9-5-4-8-14(15)17(13-6-2-1-3-7-13)18(21)16-12-20-10-11-22-16/h1-9,16-18,20-21H,10-12H2
InChIKeyOGGHOLAJGZTYHZ-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.93
Rot. Bonds4

About 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol

2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol (PubChem CID 91057682) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol
PubChem CID91057682
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol
SMILESOC(C1CNCCO1)C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H20BrNO2/c19-15-9-5-4-8-14(15)17(13-6-2-1-3-7-13)18(21)16-12-20-10-11-22-16/h1-9,16-18,20-21H,10-12H2
InChIKeyOGGHOLAJGZTYHZ-UHFFFAOYSA-N
XLogP2.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol?
The IUPAC name of 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol (CID 91057682) is 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol is OC(C1CNCCO1)C(c1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol?
The InChIKey is OGGHOLAJGZTYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c19-15-9-5-4-8-14(15)17(13-6-2-1-3-7-13)18(21)16-12-20-10-11-22-16/h1-9,16-18,20-21H,10-12H2.
What are the key properties of 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol?
2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol has a molecular weight of 362.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-morpholin-2-yl-2-phenylethanol is sourced from PubChem (CID 91057682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).