(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate

C14H13NO2Se — CID 51040592

IUPAC(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate
SMILESCOc1cc(C[Se]C#N)c(OC)c2ccccc12
InChIInChI=1S/C14H13NO2Se/c1-16-13-7-10(8-18-9-15)14(17-2)12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3
InChIKeyYTFOSAMEMRJHRM-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.54
Rot. Bonds4

About (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate

(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate (PubChem CID 51040592) has the molecular formula C14H13NO2Se and a molecular weight of 306.22 g/mol. Its IUPAC name is (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate.

Molecular Properties

Compound Name(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate
PubChem CID51040592
Molecular FormulaC14H13NO2Se
Molecular Weight306.22 g/mol
Exact Mass307.01
IUPAC Name(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate
SMILESCOc1cc(C[Se]C#N)c(OC)c2ccccc12
InChIInChI=1S/C14H13NO2Se/c1-16-13-7-10(8-18-9-15)14(17-2)12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3
InChIKeyYTFOSAMEMRJHRM-UHFFFAOYSA-N
XLogP2.54
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl)methyl selenocyanate
CID 10331260
1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 160859326
2-[(4-chlorophenyl)methylideneamino]-3-(1,4-dimethoxynaphthalen-2-yl)propanenitrile
CID 50994489
2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene
CID 101000982
(1,4-dimethoxy-3-methylsulfanylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 159541099
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten
CID 59623856
2,4-dimethoxynaphthalen-1-ol
CID 12563547
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
(1,5-dimethoxynaphthalen-2-yl)methanol
CID 117310761
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate?
The IUPAC name of (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate (CID 51040592) is (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate.
What is the SMILES notation for (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate?
The canonical SMILES for (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate is COc1cc(C[Se]C#N)c(OC)c2ccccc12.
What is the InChIKey of (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate?
The InChIKey is YTFOSAMEMRJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2Se/c1-16-13-7-10(8-18-9-15)14(17-2)12-6-4-3-5-11(12)13/h3-7H,8H2,1-2H3.
What are the key properties of (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate?
(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate has a molecular weight of 306.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate is sourced from PubChem (CID 51040592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).