4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol

C18H23NO3 — CID 86763298

IUPAC4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
SMILESOC(CCN1CCOCC1)COc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3/c20-17(7-8-19-9-11-21-12-10-19)14-22-18-6-5-15-3-1-2-4-16(15)13-18/h1-6,13,17,20H,7-12,14H2
InChIKeyRYERGGYEZUJPEH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.30
Rot. Bonds6

About 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol

4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol (PubChem CID 86763298) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol.

Molecular Properties

Compound Name4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
PubChem CID86763298
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
SMILESOC(CCN1CCOCC1)COc1ccc2ccccc2c1
InChIInChI=1S/C18H23NO3/c20-17(7-8-19-9-11-21-12-10-19)14-22-18-6-5-15-3-1-2-4-16(15)13-18/h1-6,13,17,20H,7-12,14H2
InChIKeyRYERGGYEZUJPEH-UHFFFAOYSA-N
XLogP2.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone
CID 7126450
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 111382186
1-[4-[2-hydroxy-4-(4-methylpiperazin-1-yl)butoxy]phenoxy]-4-(4-methylpiperazin-1-yl)butan-2-ol
CID 3131868
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
3-hydroxy-4-naphthalen-2-yloxybutane-1-sulfonic acid
CID 90272213
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol?
The IUPAC name of 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol (CID 86763298) is 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol.
What is the SMILES notation for 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol?
The canonical SMILES for 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol is OC(CCN1CCOCC1)COc1ccc2ccccc2c1.
What is the InChIKey of 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol?
The InChIKey is RYERGGYEZUJPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(7-8-19-9-11-21-12-10-19)14-22-18-6-5-15-3-1-2-4-16(15)13-18/h1-6,13,17,20H,7-12,14H2.
What are the key properties of 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol?
4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol is sourced from PubChem (CID 86763298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).