4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine

C21H23NO4 — CID 159794088

IUPAC4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine
SMILESC#CCOc1ccc(CN2CCOCC2)cc1.O=Cc1ccc(O)cc1
InChIInChI=1S/C14H17NO2.C7H6O2/c1-2-9-17-14-5-3-13(4-6-14)12-15-7-10-16-11-8-15;8-5-6-1-3-7(9)4-2-6/h1,3-6H,7-12H2;1-5,9H
InChIKeyNIYDVSRFEGLENH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.74
Rot. Bonds5

About 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine

4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine (PubChem CID 159794088) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine
PubChem CID159794088
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine
SMILESC#CCOc1ccc(CN2CCOCC2)cc1.O=Cc1ccc(O)cc1
InChIInChI=1S/C14H17NO2.C7H6O2/c1-2-9-17-14-5-3-13(4-6-14)12-15-7-10-16-11-8-15;8-5-6-1-3-7(9)4-2-6/h1,3-6H,7-12H2;1-5,9H
InChIKeyNIYDVSRFEGLENH-UHFFFAOYSA-N
XLogP2.74
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-morpholin-4-yl-4-(4-prop-2-ynoxyphenyl)but-3-en-2-ol
CID 3062131
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
cyclopentane;4-ethynylbenzaldehyde;1-[(4-ethynylphenyl)methyl]pyrrolidine;methanol
CID 158328899
(E)-1-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-3-(4-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 90383481
1-[4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]-3-(4-prop-2-ynoxyphenyl)prop-2-en-1-one
CID 123195161
N-(2-morpholin-4-ylethyl)-4-prop-2-ynoxybenzamide
CID 6471547
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
4-(4-cyclopropylpiperazine-1-carbonyl)benzaldehyde;(4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 158582879
(4-hydroxyphenyl)-(4-prop-2-ynoxyphenyl)methanone
CID 46229706
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine?
The IUPAC name of 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine (CID 159794088) is 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine is C#CCOc1ccc(CN2CCOCC2)cc1.O=Cc1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine?
The InChIKey is NIYDVSRFEGLENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C7H6O2/c1-2-9-17-14-5-3-13(4-6-14)12-15-7-10-16-11-8-15;8-5-6-1-3-7(9)4-2-6/h1,3-6H,7-12H2;1-5,9H.
What are the key properties of 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine?
4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine has a molecular weight of 353.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzaldehyde;4-[(4-prop-2-ynoxyphenyl)methyl]morpholine is sourced from PubChem (CID 159794088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).