3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal

C16H23NO4 — CID 57043827

IUPAC3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal
SMILESCC(C=O)(Cc1ccc(OCCO)cc1)N1CCOCC1
InChIInChI=1S/C16H23NO4/c1-16(13-19,17-6-9-20-10-7-17)12-14-2-4-15(5-3-14)21-11-8-18/h2-5,13,18H,6-12H2,1H3
InChIKeyTXNKJOIYHVGAPF-UHFFFAOYSA-N
MW293.36 g/mol
LogP0.89
Rot. Bonds7

About 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal

3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal (PubChem CID 57043827) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal
PubChem CID57043827
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal
SMILESCC(C=O)(Cc1ccc(OCCO)cc1)N1CCOCC1
InChIInChI=1S/C16H23NO4/c1-16(13-19,17-6-9-20-10-7-17)12-14-2-4-15(5-3-14)21-11-8-18/h2-5,13,18H,6-12H2,1H3
InChIKeyTXNKJOIYHVGAPF-UHFFFAOYSA-N
XLogP0.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;4-[2-methyl-1-(4-methylsulfanylphenyl)propan-2-yl]morpholine
CID 161445896
2-methyl-3-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropanal;toluene
CID 170163143
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867019
3-(4-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 63270699
3-(4-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 84752230
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
1,7-dihydroxy-3,5-bis[[4-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylheptan-4-one
CID 121317732
2-methyl-3-(4-methylthiophen-2-yl)-2-morpholin-4-ylpropanal
CID 87305345
3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752467
3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752469
2-hydroxy-3-[4-[2-(hydroxymethoxy)ethoxy]phenyl]-2-methylpropanal
CID 88614427

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal?
The IUPAC name of 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal (CID 57043827) is 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal is CC(C=O)(Cc1ccc(OCCO)cc1)N1CCOCC1.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal?
The InChIKey is TXNKJOIYHVGAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(13-19,17-6-9-20-10-7-17)12-14-2-4-15(5-3-14)21-11-8-18/h2-5,13,18H,6-12H2,1H3.
What are the key properties of 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal?
3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal has a molecular weight of 293.36 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropanal is sourced from PubChem (CID 57043827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).