4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine

C16H19NO — CID 173062181

IUPAC4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
SMILESC1=CCC(c2ccc(N3CCOCC3)cc2)C=C1
InChIInChI=1S/C16H19NO/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-4,6-9,14H,5,10-13H2
InChIKeyZMANCELNJGPYOV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.12
Rot. Bonds2

About 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine

4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine (PubChem CID 173062181) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
PubChem CID173062181
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine
SMILESC1=CCC(c2ccc(N3CCOCC3)cc2)C=C1
InChIInChI=1S/C16H19NO/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-4,6-9,14H,5,10-13H2
InChIKeyZMANCELNJGPYOV-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-cyclohexa-2,4-dien-1-ylbenzene
CID 13139025
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
5-[4-(4-morpholin-4-ylphenyl)phenyl]triazolidine-4-carboxylic acid
CID 171664140
2-(4-morpholin-4-ylphenyl)-1,3-oxathiolan-5-one
CID 139228182
4-[4-[2-(1,3-dioxolan-2-ylmethyl)cyclopropyl]phenyl]morpholine
CID 138973080

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine?
The IUPAC name of 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine (CID 173062181) is 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine?
The canonical SMILES for 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine is C1=CCC(c2ccc(N3CCOCC3)cc2)C=C1.
What is the InChIKey of 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine?
The InChIKey is ZMANCELNJGPYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)17-10-12-18-13-11-17/h1-4,6-9,14H,5,10-13H2.
What are the key properties of 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine?
4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine has a molecular weight of 241.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexa-2,4-dien-1-ylphenyl)morpholine is sourced from PubChem (CID 173062181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).