1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol

C25H23NO2 — CID 166589848

IUPAC1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1c(OCC2CNC2)ccc2ccccc12
InChIInChI=1S/C25H23NO2/c27-24-11-9-18-5-1-3-7-20(18)22(24)13-23-21-8-4-2-6-19(21)10-12-25(23)28-16-17-14-26-15-17/h1-12,17,26-27H,13-16H2
InChIKeyUEKXJKGQQDJJEU-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.89
Rot. Bonds5

About 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol

1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol (PubChem CID 166589848) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
PubChem CID166589848
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1Cc1c(OCC2CNC2)ccc2ccccc12
InChIInChI=1S/C25H23NO2/c27-24-11-9-18-5-1-3-7-20(18)22(24)13-23-21-8-4-2-6-19(21)10-12-25(23)28-16-17-14-26-15-17/h1-12,17,26-27H,13-16H2
InChIKeyUEKXJKGQQDJJEU-UHFFFAOYSA-N
XLogP4.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-[(1-methylpiperidin-4-yl)methoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589863
2-[2-(piperidin-3-ylmethoxy)naphthalen-1-yl]acetic acid
CID 170886806
2-[2-(cyclopropylmethoxy)naphthalen-1-yl]ethanamine
CID 54930636
1-[[2-[2-(ethylamino)ethoxy]naphthalen-1-yl]methyl]naphthalen-2-ol
CID 166589889
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
2-(azetidin-3-ylmethoxy)benzonitrile
CID 67355381
(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
CID 26190840
8-[(2-hydroxynaphthalen-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 163288571
8-[(2-hydroxynaphthalen-1-yl)methyl]quinolin-7-ol
CID 166589880
4-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]oxane
CID 62385709
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750
4-[[1-[[2-(ethoxymethoxy)naphthalen-1-yl]methyl]naphthalen-2-yl]oxymethyl]-1-methylpiperidine
CID 166589878

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol (CID 166589848) is 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1Cc1c(OCC2CNC2)ccc2ccccc12.
What is the InChIKey of 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol?
The InChIKey is UEKXJKGQQDJJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c27-24-11-9-18-5-1-3-7-20(18)22(24)13-23-21-8-4-2-6-19(21)10-12-25(23)28-16-17-14-26-15-17/h1-12,17,26-27H,13-16H2.
What are the key properties of 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol?
1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol has a molecular weight of 369.46 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(azetidin-3-ylmethoxy)naphthalen-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 166589848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).