2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol

C23H29NO3 — CID 142243547

IUPAC2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol
SMILESC=C(C)C(O)(c1ccc(OC(C)C)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29NO3/c1-17(2)23(25,20-7-11-22(12-8-20)27-18(3)4)19-5-9-21(10-6-19)24-13-15-26-16-14-24/h5-12,18,25H,1,13-16H2,2-4H3
InChIKeySTANIVRWMBPMIE-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.12
Rot. Bonds6

About 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol

2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol (PubChem CID 142243547) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol
PubChem CID142243547
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol
SMILESC=C(C)C(O)(c1ccc(OC(C)C)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29NO3/c1-17(2)23(25,20-7-11-22(12-8-20)27-18(3)4)19-5-9-21(10-6-19)24-13-15-26-16-14-24/h5-12,18,25H,1,13-16H2,2-4H3
InChIKeySTANIVRWMBPMIE-UHFFFAOYSA-N
XLogP4.12
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 43803260
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
2,3-dimethyl-1-(4-morpholin-4-ylanilino)butan-2-ol
CID 114493123
4-[2-iodo-5-(4-propan-2-yloxyphenyl)phenyl]morpholine
CID 156578126
[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 2948091
1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
4-[4-[(E)-3-(4-morpholin-4-ylphenyl)but-2-en-2-yl]phenyl]morpholine
CID 15946701
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518
1-methyl-3-morpholin-4-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol (CID 142243547) is 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol is C=C(C)C(O)(c1ccc(OC(C)C)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol?
The InChIKey is STANIVRWMBPMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17(2)23(25,20-7-11-22(12-8-20)27-18(3)4)19-5-9-21(10-6-19)24-13-15-26-16-14-24/h5-12,18,25H,1,13-16H2,2-4H3.
What are the key properties of 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol?
2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol has a molecular weight of 367.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 142243547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).