cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C22H16N2O4 — CID 70289333

IUPACcyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESN#CO.N#CO.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.2CHNO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*2-1-3/h1-12,21-22H;2*3H
InChIKeyKTBZYRMHPNVMJX-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.75
Rot. Bonds1

About cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 70289333) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Namecyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID70289333
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Namecyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESN#CO.N#CO.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2.2CHNO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*2-1-3/h1-12,21-22H;2*3H
InChIKeyKTBZYRMHPNVMJX-UHFFFAOYSA-N
XLogP4.75
TPSA128.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
CID 131985794
chromium;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;prop-1-ene
CID 10785807
6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10018263
[1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] hypofluorite
CID 155278938
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369
1-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 101266046
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613

Frequently Asked Questions

What is the IUPAC name of cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 70289333) is cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is N#CO.N#CO.Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12.
What is the InChIKey of cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is KTBZYRMHPNVMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2.2CHNO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*2-1-3/h1-12,21-22H;2*3H.
What are the key properties of cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 372.38 g/mol, XLogP of 4.75, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 70289333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).