1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol

C20H26NO3+ — CID 3064908

IUPAC1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol
SMILESC=CC[N+]1(CC(O)COc2cccc3ccccc23)CCOCC1
InChIInChI=1S/C20H26NO3/c1-2-10-21(11-13-23-14-12-21)15-18(22)16-24-20-9-5-7-17-6-3-4-8-19(17)20/h2-9,18,22H,1,10-16H2/q+1
InChIKeyZZNWPGORMLZVBP-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.61
Rot. Bonds7

About 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol

1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol (PubChem CID 3064908) has the molecular formula C20H26NO3+ and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol
PubChem CID3064908
Molecular FormulaC20H26NO3+
Molecular Weight328.43 g/mol
Exact Mass328.19
IUPAC Name1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol
SMILESC=CC[N+]1(CC(O)COc2cccc3ccccc23)CCOCC1
InChIInChI=1S/C20H26NO3/c1-2-10-21(11-13-23-14-12-21)15-18(22)16-24-20-9-5-7-17-6-3-4-8-19(17)20/h2-9,18,22H,1,10-16H2/q+1
InChIKeyZZNWPGORMLZVBP-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

oxirane;1-prop-2-enoxynaphthalene
CID 174790954
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CID 21238595
1-cyclopentyl-3-naphthalen-1-yloxypropan-2-ol
CID 103160605
4-hydroxy-5-naphthalen-1-yloxypent-1-en-3-one
CID 70402211
1-(2-fluorophenoxy)-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol
CID 4601663
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CID 86215876
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)sulfanylphenol
CID 19981814
1-naphthalen-1-yloxy-4-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 13120361
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(4-benzylmorpholin-4-ium-4-yl)-3-butoxypropan-2-ol
CID 43842233

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol?
The IUPAC name of 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol (CID 3064908) is 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol?
The canonical SMILES for 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol is C=CC[N+]1(CC(O)COc2cccc3ccccc23)CCOCC1.
What is the InChIKey of 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol?
The InChIKey is ZZNWPGORMLZVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO3/c1-2-10-21(11-13-23-14-12-21)15-18(22)16-24-20-9-5-7-17-6-3-4-8-19(17)20/h2-9,18,22H,1,10-16H2/q+1.
What are the key properties of 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol?
1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol has a molecular weight of 328.43 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-(4-prop-2-enylmorpholin-4-ium-4-yl)propan-2-ol is sourced from PubChem (CID 3064908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).