1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol

C19H31NO3 — CID 82073803

IUPAC1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
SMILESCCCCOc1ccc(C(O)CCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H31NO3/c1-4-5-12-22-18-8-6-17(7-9-18)19(21)10-11-20-13-15(2)23-16(3)14-20/h6-9,15-16,19,21H,4-5,10-14H2,1-3H3
InChIKeyOBELFEJNTCQMJP-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.40
Rot. Bonds8

About 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol

1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol (PubChem CID 82073803) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
PubChem CID82073803
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
SMILESCCCCOc1ccc(C(O)CCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C19H31NO3/c1-4-5-12-22-18-8-6-17(7-9-18)19(21)10-11-20-13-15(2)23-16(3)14-20/h6-9,15-16,19,21H,4-5,10-14H2,1-3H3
InChIKeyOBELFEJNTCQMJP-UHFFFAOYSA-N
XLogP3.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
1-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propan-1-ol
CID 104960789
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
(3S)-1-[(3S)-3-(4-hexoxyphenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 70247484
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)propan-1-ol
CID 104960773
(2R,6R)-4-[2-(4-fluorophenoxy)ethyl]-2,6-dimethylmorpholine
CID 888238
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934842

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol (CID 82073803) is 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol is CCCCOc1ccc(C(O)CCN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
The InChIKey is OBELFEJNTCQMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-4-5-12-22-18-8-6-17(7-9-18)19(21)10-11-20-13-15(2)23-16(3)14-20/h6-9,15-16,19,21H,4-5,10-14H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol?
1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 82073803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).