3-naphthalen-1-yloxetan-3-ol

C13H12O2 — CID 116873048

IUPAC3-naphthalen-1-yloxetan-3-ol
SMILESOC1(c2cccc3ccccc23)COC1
InChIInChI=1S/C13H12O2/c14-13(8-15-9-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2
InChIKeyWDRUUOIIURBBTM-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.06
Rot. Bonds1

About 3-naphthalen-1-yloxetan-3-ol

3-naphthalen-1-yloxetan-3-ol (PubChem CID 116873048) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-naphthalen-1-yloxetan-3-ol.

Molecular Properties

Compound Name3-naphthalen-1-yloxetan-3-ol
PubChem CID116873048
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name3-naphthalen-1-yloxetan-3-ol
SMILESOC1(c2cccc3ccccc23)COC1
InChIInChI=1S/C13H12O2/c14-13(8-15-9-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2
InChIKeyWDRUUOIIURBBTM-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-3-naphthalen-1-yloxetane
CID 116876457
3-chloro-3-naphthalen-1-yloxetane
CID 116876568
[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
CID 116874836
2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine
CID 116870023
3,4-dimethyl-1-naphthalen-1-ylcyclohexan-1-ol
CID 64746265
12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol
CID 11166060
N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
CID 116870622
1-benzyl-3-naphthalen-1-ylpyrrolidin-3-ol
CID 2894128
2,2-dimethyl-1-naphthalen-1-ylcyclopentan-1-ol
CID 79863482
ethyl 4-hydroxy-4-naphthalen-1-ylpiperidine-1-carboxylate
CID 15124802
(2,2-dimethyl-1-naphthalen-1-ylcyclopropyl)methanol
CID 116842745
9,9-dinaphthalen-1-ylfluorene
CID 140680296

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxetan-3-ol?
The IUPAC name of 3-naphthalen-1-yloxetan-3-ol (CID 116873048) is 3-naphthalen-1-yloxetan-3-ol.
What is the SMILES notation for 3-naphthalen-1-yloxetan-3-ol?
The canonical SMILES for 3-naphthalen-1-yloxetan-3-ol is OC1(c2cccc3ccccc23)COC1.
What is the InChIKey of 3-naphthalen-1-yloxetan-3-ol?
The InChIKey is WDRUUOIIURBBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c14-13(8-15-9-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,14H,8-9H2.
What are the key properties of 3-naphthalen-1-yloxetan-3-ol?
3-naphthalen-1-yloxetan-3-ol has a molecular weight of 200.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxetan-3-ol is sourced from PubChem (CID 116873048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).