(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol

C23H31NO3 — CID 7128599

IUPAC(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCCCCOc1ccc([C@](O)(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-2-3-17-27-22-11-9-21(10-12-22)23(25,20-7-5-4-6-8-20)13-14-24-15-18-26-19-16-24/h4-12,25H,2-3,13-19H2,1H3/t23-/m0/s1
InChIKeyLTDLMDRADXKBIO-QHCPKHFHSA-N
MW369.51 g/mol
LogP3.82
Rot. Bonds9

About (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol

(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (PubChem CID 7128599) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
PubChem CID7128599
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
SMILESCCCCOc1ccc([C@](O)(CCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H31NO3/c1-2-3-17-27-22-11-9-21(10-12-22)23(25,20-7-5-4-6-8-20)13-14-24-15-18-26-19-16-24/h4-12,25H,2-3,13-19H2,1H3/t23-/m0/s1
InChIKeyLTDLMDRADXKBIO-QHCPKHFHSA-N
XLogP3.82
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 4072683
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
(2S,3S)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873947
(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873941
4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
CID 138678189
1-morpholin-4-yl-2-(4-propoxyphenyl)propan-2-ol
CID 655026
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
N-methylmethanamine;4-[2-[4-(2-methylpentan-2-yl)phenoxy]ethyl]morpholine
CID 142387605
(3R)-3-(4-butoxyphenyl)-1-piperidin-1-ylpentan-3-ol
CID 7183676

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The IUPAC name of (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol (CID 7128599) is (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is CCCCOc1ccc([C@](O)(CCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
The InChIKey is LTDLMDRADXKBIO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H31NO3/c1-2-3-17-27-22-11-9-21(10-12-22)23(25,20-7-5-4-6-8-20)13-14-24-15-18-26-19-16-24/h4-12,25H,2-3,13-19H2,1H3/t23-/m0/s1.
What are the key properties of (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol?
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol has a molecular weight of 369.51 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 7128599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).