1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol

C16H25NO3 — CID 655026

IUPAC1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol
SMILESCCCOc1ccc(C(C)(O)CN2CCOCC2)cc1
InChIInChI=1S/C16H25NO3/c1-3-10-20-15-6-4-14(5-7-15)16(2,18)13-17-8-11-19-12-9-17/h4-7,18H,3,8-13H2,1-2H3
InChIKeyBCBVJZBLOATRPQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.02
Rot. Bonds6

About 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol

1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol (PubChem CID 655026) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol
PubChem CID655026
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol
SMILESCCCOc1ccc(C(C)(O)CN2CCOCC2)cc1
InChIInChI=1S/C16H25NO3/c1-3-10-20-15-6-4-14(5-7-15)16(2,18)13-17-8-11-19-12-9-17/h4-7,18H,3,8-13H2,1-2H3
InChIKeyBCBVJZBLOATRPQ-UHFFFAOYSA-N
XLogP2.02
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-morpholin-4-yl-2-naphthalen-2-ylpropan-2-ol
CID 102520288
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
N-methylmethanamine;4-[2-[4-(2-methylpentan-2-yl)phenoxy]ethyl]morpholine
CID 142387605
(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873941
(2S,3S)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873947
4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
CID 138678189
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
N-(2-morpholin-4-ylethyl)-4-propoxybenzamide chloride
CID 53352023
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
2-(4-butoxyphenyl)-4-morpholin-4-ium-4-ylbutan-2-ol
CID 5179668
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol (CID 655026) is 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol is CCCOc1ccc(C(C)(O)CN2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol?
The InChIKey is BCBVJZBLOATRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-10-20-15-6-4-14(5-7-15)16(2,18)13-17-8-11-19-12-9-17/h4-7,18H,3,8-13H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol?
1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol is sourced from PubChem (CID 655026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).