1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol

C23H30BrNO3 — CID 138959998

IUPAC1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol
SMILESCCC(C)c1ccccc1OCC(O)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C23H30BrNO3/c1-3-17(2)21-9-4-5-10-22(21)28-16-20(26)14-25-11-12-27-23(15-25)18-7-6-8-19(24)13-18/h4-10,13,17,20,23,26H,3,11-12,14-16H2,1-2H3
InChIKeyIJVPWFJSCKHRFQ-UHFFFAOYSA-N
MW448.40 g/mol
LogP4.78
Rot. Bonds8

About 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol

1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol (PubChem CID 138959998) has the molecular formula C23H30BrNO3 and a molecular weight of 448.40 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol
PubChem CID138959998
Molecular FormulaC23H30BrNO3
Molecular Weight448.40 g/mol
Exact Mass447.14
IUPAC Name1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol
SMILESCCC(C)c1ccccc1OCC(O)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C23H30BrNO3/c1-3-17(2)21-9-4-5-10-22(21)28-16-20(26)14-25-11-12-27-23(15-25)18-7-6-8-19(24)13-18/h4-10,13,17,20,23,26H,3,11-12,14-16H2,1-2H3
InChIKeyIJVPWFJSCKHRFQ-UHFFFAOYSA-N
XLogP4.78
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol with MolForge

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Related Compounds

1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959039
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 138960645
1-(2,3-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol
CID 138958928
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
1-(4-benzhydrylpiperazin-1-yl)-3-(2-butan-2-ylphenoxy)propan-2-ol;dihydrochloride
CID 171155114
(2S)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2S)-butan-2-yl]phenoxy]propan-2-ol
CID 30687450
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2R)-butan-2-yl]phenoxy]propan-2-ol
CID 30687421
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
1-(2-butan-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16807023
1-(2-butan-2-ylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 4093852
1-(2,6-dimethylphenoxy)-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138958917

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol (CID 138959998) is 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol is CCC(C)c1ccccc1OCC(O)CN1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol?
The InChIKey is IJVPWFJSCKHRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrNO3/c1-3-17(2)21-9-4-5-10-22(21)28-16-20(26)14-25-11-12-27-23(15-25)18-7-6-8-19(24)13-18/h4-10,13,17,20,23,26H,3,11-12,14-16H2,1-2H3.
What are the key properties of 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol?
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol has a molecular weight of 448.40 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-butan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 138959998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).