1,2-diethyl-3-phenylbenzene;oxalonitrile

C18H18N2 — CID 174716651

IUPAC1,2-diethyl-3-phenylbenzene;oxalonitrile
SMILESCCc1cccc(-c2ccccc2)c1CC.N#CC#N
InChIInChI=1S/C16H18.C2N2/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14;3-1-2-4/h5-12H,3-4H2,1-2H3;
InChIKeyJINFKRROTXVSGL-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.51
Rot. Bonds3

About 1,2-diethyl-3-phenylbenzene;oxalonitrile

1,2-diethyl-3-phenylbenzene;oxalonitrile (PubChem CID 174716651) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1,2-diethyl-3-phenylbenzene;oxalonitrile.

Molecular Properties

Compound Name1,2-diethyl-3-phenylbenzene;oxalonitrile
PubChem CID174716651
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name1,2-diethyl-3-phenylbenzene;oxalonitrile
SMILESCCc1cccc(-c2ccccc2)c1CC.N#CC#N
InChIInChI=1S/C16H18.C2N2/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14;3-1-2-4/h5-12H,3-4H2,1-2H3;
InChIKeyJINFKRROTXVSGL-UHFFFAOYSA-N
XLogP4.51
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
3-(2,3-diethylphenyl)phenol
CID 101302379
2-ethyl-3-phenylphenol;formaldehyde
CID 175490561
1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene
CID 54234725
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
2,6-diethyl-3-phenylphenol
CID 101302345
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
boric acid;2-ethyl-6-phenylaniline;methanol
CID 175445116
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
2-(2,6-diphenylphenyl)acetic acid
CID 69422987

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-phenylbenzene;oxalonitrile?
The IUPAC name of 1,2-diethyl-3-phenylbenzene;oxalonitrile (CID 174716651) is 1,2-diethyl-3-phenylbenzene;oxalonitrile.
What is the SMILES notation for 1,2-diethyl-3-phenylbenzene;oxalonitrile?
The canonical SMILES for 1,2-diethyl-3-phenylbenzene;oxalonitrile is CCc1cccc(-c2ccccc2)c1CC.N#CC#N.
What is the InChIKey of 1,2-diethyl-3-phenylbenzene;oxalonitrile?
The InChIKey is JINFKRROTXVSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C2N2/c1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14;3-1-2-4/h5-12H,3-4H2,1-2H3;.
What are the key properties of 1,2-diethyl-3-phenylbenzene;oxalonitrile?
1,2-diethyl-3-phenylbenzene;oxalonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-phenylbenzene;oxalonitrile is sourced from PubChem (CID 174716651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).