ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate

C17H20N2O2 — CID 144784609

IUPACethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate
SMILESCC.CCc1cccc(OC#N)c1COc1ccccn1
InChIInChI=1S/C15H14N2O2.C2H6/c1-2-12-6-5-7-14(19-11-16)13(12)10-18-15-8-3-4-9-17-15;1-2/h3-9H,2,10H2,1H3;1-2H3
InChIKeyYKHWYNYKMBTUGK-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.11
Rot. Bonds5

About ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate

ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate (PubChem CID 144784609) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate.

Molecular Properties

Compound Nameethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate
PubChem CID144784609
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate
SMILESCC.CCc1cccc(OC#N)c1COc1ccccn1
InChIInChI=1S/C15H14N2O2.C2H6/c1-2-12-6-5-7-14(19-11-16)13(12)10-18-15-8-3-4-9-17-15;1-2/h3-9H,2,10H2,1H3;1-2H3
InChIKeyYKHWYNYKMBTUGK-UHFFFAOYSA-N
XLogP4.11
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3-diethylphenyl) cyanate
CID 141200893
2-[(3-ethylphenyl)methoxy]pyridine
CID 71028787
3-[(2-ethyl-6-propan-2-yloxyphenyl)methoxy]-1-sulfanylpyrazole
CID 155217964
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
2,3-bis[(2-ethylphenoxy)methyl]phenol
CID 67177980
[2-(2-trichlorosilylethyl)phenyl] cyanate
CID 22003174
1-[3-methoxy-2-(pyridin-2-yloxymethyl)phenyl]-4-methyltetrazol-5-one
CID 140707211
[3-prop-1-ynyl-2-[(1-sulfanylpyrazol-3-yl)oxymethyl]phenyl] cyanate
CID 155217791
2-(2-ethylphenoxy)acetonitrile
CID 22688439
3-ethyl-2-(phenoxymethyl)phenol
CID 174805070
2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine
CID 144783794
3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine
CID 144784299

Frequently Asked Questions

What is the IUPAC name of ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate?
The IUPAC name of ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate (CID 144784609) is ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate.
What is the SMILES notation for ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate?
The canonical SMILES for ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate is CC.CCc1cccc(OC#N)c1COc1ccccn1.
What is the InChIKey of ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate?
The InChIKey is YKHWYNYKMBTUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.C2H6/c1-2-12-6-5-7-14(19-11-16)13(12)10-18-15-8-3-4-9-17-15;1-2/h3-9H,2,10H2,1H3;1-2H3.
What are the key properties of ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate?
ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate has a molecular weight of 284.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate is sourced from PubChem (CID 144784609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).