1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol

C17H21NO3 — CID 3062131

IUPAC1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
SMILESC#CCOc1ccc(C=CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C17H21NO3/c1-2-11-21-17-7-4-15(5-8-17)3-6-16(19)14-18-9-12-20-13-10-18/h1,3-8,16,19H,9-14H2
InChIKeyULWSWOVUCIINKF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.40
Rot. Bonds6

About 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol

1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol (PubChem CID 3062131) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
PubChem CID3062131
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
SMILESC#CCOc1ccc(C=CC(O)CN2CCOCC2)cc1
InChIInChI=1S/C17H21NO3/c1-2-11-21-17-7-4-15(5-8-17)3-6-16(19)14-18-9-12-20-13-10-18/h1,3-8,16,19H,9-14H2
InChIKeyULWSWOVUCIINKF-UHFFFAOYSA-N
XLogP1.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(4-bromophenyl)-1-morpholin-4-ylbut-3-en-2-ol
CID 11971886
4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine
CID 159794088
(Z)-4-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)but-3-en-2-ol
CID 24842156
(E)-1-morpholin-4-yl-4-(1H-pyrrol-2-yl)but-3-en-2-ol
CID 154584740
(E)-3-(4-prop-2-ynoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 170899876
N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide
CID 6471547
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
(2S)-1-(4-bromophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 735568
1,7-bis[4-(2-morpholin-4-ylethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 123906714
(E)-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoic acid
CID 18363070
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol?
The IUPAC name of 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol (CID 3062131) is 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol?
The canonical SMILES for 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol is C#CCOc1ccc(C=CC(O)CN2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol?
The InChIKey is ULWSWOVUCIINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-11-21-17-7-4-15(5-8-17)3-6-16(19)14-18-9-12-20-13-10-18/h1,3-8,16,19H,9-14H2.
What are the key properties of 1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol?
1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol has a molecular weight of 287.36 g/mol, XLogP of 1.40, 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-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol is sourced from PubChem (CID 3062131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).