naphthalen-1-yl(naphthalen-1-yloxy)methanol

C21H16O2 — CID 68578221

IUPACnaphthalen-1-yl(naphthalen-1-yloxy)methanol
SMILESOC(Oc1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H16O2/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-22H
InChIKeyJNACTBGEJZAINS-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.06
Rot. Bonds3

About naphthalen-1-yl(naphthalen-1-yloxy)methanol

naphthalen-1-yl(naphthalen-1-yloxy)methanol (PubChem CID 68578221) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is naphthalen-1-yl(naphthalen-1-yloxy)methanol.

Molecular Properties

Compound Namenaphthalen-1-yl(naphthalen-1-yloxy)methanol
PubChem CID68578221
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Namenaphthalen-1-yl(naphthalen-1-yloxy)methanol
SMILESOC(Oc1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C21H16O2/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-22H
InChIKeyJNACTBGEJZAINS-UHFFFAOYSA-N
XLogP5.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
methylamino(naphthalen-1-yloxy)methanol
CID 173197602
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
[hydroxy(naphthalen-1-yl)methyl] hydrogen sulfite
CID 174247973
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
benzene;naphthalen-1-yloxymethanol
CID 70447137
naphthalen-1-yl(3-naphthalen-1-ylbutoxy)methanol
CID 91010626
1-pent-3-yn-2-yloxynaphthalene
CID 21290400
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl(naphthalen-1-yloxy)methanol?
The IUPAC name of naphthalen-1-yl(naphthalen-1-yloxy)methanol (CID 68578221) is naphthalen-1-yl(naphthalen-1-yloxy)methanol.
What is the SMILES notation for naphthalen-1-yl(naphthalen-1-yloxy)methanol?
The canonical SMILES for naphthalen-1-yl(naphthalen-1-yloxy)methanol is OC(Oc1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl(naphthalen-1-yloxy)methanol?
The InChIKey is JNACTBGEJZAINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-21(19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21-22H.
What are the key properties of naphthalen-1-yl(naphthalen-1-yloxy)methanol?
naphthalen-1-yl(naphthalen-1-yloxy)methanol has a molecular weight of 300.36 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl(naphthalen-1-yloxy)methanol is sourced from PubChem (CID 68578221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).