(2,3-diethylphenyl) cyanate

C11H13NO — CID 141200893

IUPAC(2,3-diethylphenyl) cyanate
SMILESCCc1cccc(OC#N)c1CC
InChIInChI=1S/C11H13NO/c1-3-9-6-5-7-11(13-8-12)10(9)4-2/h5-7H,3-4H2,1-2H3
InChIKeyLTRYUBHAYXWUKK-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.67
Rot. Bonds3

About (2,3-diethylphenyl) cyanate

(2,3-diethylphenyl) cyanate (PubChem CID 141200893) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (2,3-diethylphenyl) cyanate.

Molecular Properties

Compound Name(2,3-diethylphenyl) cyanate
PubChem CID141200893
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(2,3-diethylphenyl) cyanate
SMILESCCc1cccc(OC#N)c1CC
InChIInChI=1S/C11H13NO/c1-3-9-6-5-7-11(13-8-12)10(9)4-2/h5-7H,3-4H2,1-2H3
InChIKeyLTRYUBHAYXWUKK-UHFFFAOYSA-N
XLogP2.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;[3-ethyl-2-(pyridin-2-yloxymethyl)phenyl] cyanate
CID 144784609
(2,3-diethylphenoxy)-hydroxy-oxophosphanium
CID 66957661
2-[2-ethyl-3-(trifluoromethoxy)phenyl]acetonitrile
CID 170999109
CID 151898438
CID 151898438
1,2-diethyl-3-isothiocyanatobenzene
CID 122700830
[2-(2-trichlorosilylethyl)phenyl] cyanate
CID 22003174
1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
CID 54400320
1,2-diethyl-3-phenylbenzene;oxalonitrile
CID 174716651
2-(2-ethylphenoxy)acetonitrile
CID 22688439
N'-(2,3-diethylphenyl)methanediimine
CID 154466708
2-ethyl-3-methoxybenzonitrile
CID 91882343
[3-[(2,3-diethylphenoxy)-hydroxyphosphoryl]oxyphenyl] (2,3-diethylphenyl) hydrogen phosphate
CID 21263253

Frequently Asked Questions

What is the IUPAC name of (2,3-diethylphenyl) cyanate?
The IUPAC name of (2,3-diethylphenyl) cyanate (CID 141200893) is (2,3-diethylphenyl) cyanate.
What is the SMILES notation for (2,3-diethylphenyl) cyanate?
The canonical SMILES for (2,3-diethylphenyl) cyanate is CCc1cccc(OC#N)c1CC.
What is the InChIKey of (2,3-diethylphenyl) cyanate?
The InChIKey is LTRYUBHAYXWUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-9-6-5-7-11(13-8-12)10(9)4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of (2,3-diethylphenyl) cyanate?
(2,3-diethylphenyl) cyanate has a molecular weight of 175.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylphenyl) cyanate is sourced from PubChem (CID 141200893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).