1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol

C17H27NO3 — CID 82073802

IUPAC1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCCCOc1ccc(C(O)CCN2CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-12-21-16-6-4-15(5-7-16)17(19)8-9-18-10-13-20-14-11-18/h4-7,17,19H,2-3,8-14H2,1H3
InChIKeyKZIZFVKKFPVSMW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.62
Rot. Bonds8

About 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol

1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol (PubChem CID 82073802) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
PubChem CID82073802
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
SMILESCCCCOc1ccc(C(O)CCN2CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-12-21-16-6-4-15(5-7-16)17(19)8-9-18-10-13-20-14-11-18/h4-7,17,19H,2-3,8-14H2,1H3
InChIKeyKZIZFVKKFPVSMW-UHFFFAOYSA-N
XLogP2.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.62
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-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 82073803
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82105505
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
(3S)-1-[(3S)-3-(4-hexoxyphenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 70247484
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
(4-butoxyphenyl)-(oxan-4-yl)methanol
CID 105097491
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449
2-(4-chlorophenoxy)-N-[4-(1-hydroxy-3-morpholin-4-ylpropyl)phenyl]acetamide
CID 84559932
ethyl 2-amino-3-[4-(3-morpholin-4-ylpropoxy)phenyl]propanoate
CID 170886109

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol (CID 82073802) is 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol is CCCCOc1ccc(C(O)CCN2CCOCC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
The InChIKey is KZIZFVKKFPVSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-12-21-16-6-4-15(5-7-16)17(19)8-9-18-10-13-20-14-11-18/h4-7,17,19H,2-3,8-14H2,1H3.
What are the key properties of 1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol?
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.62, 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-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 82073802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).