1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol

C22H26Cl2FNO3 — CID 138959811

IUPAC1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CN2CCOC(c3cc(F)c(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C22H26Cl2FNO3/c1-2-3-15-4-6-17(7-5-15)29-14-16(27)12-26-8-9-28-22(13-26)18-10-21(25)20(24)11-19(18)23/h4-7,10-11,16,22,27H,2-3,8-9,12-14H2,1H3
InChIKeyUIRMGAYQSIPTCI-UHFFFAOYSA-N
MW442.36 g/mol
LogP4.90
Rot. Bonds8

About 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol

1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol (PubChem CID 138959811) has the molecular formula C22H26Cl2FNO3 and a molecular weight of 442.36 g/mol. Its IUPAC name is 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol
PubChem CID138959811
Molecular FormulaC22H26Cl2FNO3
Molecular Weight442.36 g/mol
Exact Mass441.13
IUPAC Name1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CN2CCOC(c3cc(F)c(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C22H26Cl2FNO3/c1-2-3-15-4-6-17(7-5-15)29-14-16(27)12-26-8-9-28-22(13-26)18-10-21(25)20(24)11-19(18)23/h4-7,10-11,16,22,27H,2-3,8-9,12-14H2,1H3
InChIKeyUIRMGAYQSIPTCI-UHFFFAOYSA-N
XLogP4.90
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-nitrophenoxy)propan-2-ol;hydrochloride
CID 138959814
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959772
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744
1-[2-(4-bromophenoxy)ethoxy]-3-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propan-2-ol;hydrochloride
CID 138959824
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959756
1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-(4-methylphenoxy)propan-2-ol
CID 138959012
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141261156
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 2769804

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol (CID 138959811) is 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OCC(O)CN2CCOC(c3cc(F)c(Cl)cc3Cl)C2)cc1.
What is the InChIKey of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is UIRMGAYQSIPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2FNO3/c1-2-3-15-4-6-17(7-5-15)29-14-16(27)12-26-8-9-28-22(13-26)18-10-21(25)20(24)11-19(18)23/h4-7,10-11,16,22,27H,2-3,8-9,12-14H2,1H3.
What are the key properties of 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol?
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 442.36 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 138959811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).