1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol

C19H25NO3 — CID 175034497

IUPAC1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(OCCCN2CCOCC2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C19H25NO3/c21-19(23-14-4-11-20-12-15-22-16-13-20)9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-9,21H,4,10-16H2
InChIKeyATWQYODHJVGUAC-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.46
Rot. Bonds6

About 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol

1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 175034497) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol
PubChem CID175034497
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol
SMILESOC1(OCCCN2CCOCC2)C=CC(c2ccccc2)=CC1
InChIInChI=1S/C19H25NO3/c21-19(23-14-4-11-20-12-15-22-16-13-20)9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-9,21H,4,10-16H2
InChIKeyATWQYODHJVGUAC-UHFFFAOYSA-N
XLogP2.46
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
10-morpholin-4-yldecyl 2,2-diphenylacetate
CID 97355396
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-[(2-phenyl-2,3-dihydroindolizin-6-yl)oxy]propyl]morpholine
CID 70910960
[6-methyl-1-(2-morpholin-4-ylethoxy)-5-phenylcyclohexa-2,4-dien-1-yl]methanol
CID 175341136
10-(3-morpholin-4-ylpropyl)-1,8-diphenyl-12-oxa-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 14208769
4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
CID 118654790
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol (CID 175034497) is 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol is OC1(OCCCN2CCOCC2)C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is ATWQYODHJVGUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-19(23-14-4-11-20-12-15-22-16-13-20)9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-9,21H,4,10-16H2.
What are the key properties of 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol?
1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 315.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropoxy)-4-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175034497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).