(2,4,6-trimethylphenyl)phosphanylformonitrile

C10H12NP — CID 102014448

IUPAC(2,4,6-trimethylphenyl)phosphanylformonitrile
SMILESCc1cc(C)c(PC#N)c(C)c1
InChIInChI=1S/C10H12NP/c1-7-4-8(2)10(12-6-11)9(3)5-7/h4-5,12H,1-3H3
InChIKeyVZIZKXVGAKBLDA-UHFFFAOYSA-N
MW177.19 g/mol
LogP2.40
Rot. Bonds1

About (2,4,6-trimethylphenyl)phosphanylformonitrile

(2,4,6-trimethylphenyl)phosphanylformonitrile (PubChem CID 102014448) has the molecular formula C10H12NP and a molecular weight of 177.19 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)phosphanylformonitrile.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)phosphanylformonitrile
PubChem CID102014448
Molecular FormulaC10H12NP
Molecular Weight177.19 g/mol
Exact Mass177.07
IUPAC Name(2,4,6-trimethylphenyl)phosphanylformonitrile
SMILESCc1cc(C)c(PC#N)c(C)c1
InChIInChI=1S/C10H12NP/c1-7-4-8(2)10(12-6-11)9(3)5-7/h4-5,12H,1-3H3
InChIKeyVZIZKXVGAKBLDA-UHFFFAOYSA-N
XLogP2.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

M-Xylene
CID 7929
Mesitylene
CID 7947
1,3-Diethylbenzene
CID 8864
1-Ethenyl-3-methylbenzene
CID 7529
3-Ethyltoluene
CID 12100
1,3-Diisopropenylbenzene
CID 77353
Benzene, 1-methyl-3-propyl-
CID 14092
5-Ethyl-m-xylene
CID 13627
3,5-Dimethylstyrene
CID 21476
3,5-Diethyltoluene
CID 16302
1,3,5-Triethylbenzene
CID 7602
m-Divinylbenzene
CID 7941

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)phosphanylformonitrile?
The IUPAC name of (2,4,6-trimethylphenyl)phosphanylformonitrile (CID 102014448) is (2,4,6-trimethylphenyl)phosphanylformonitrile.
What is the SMILES notation for (2,4,6-trimethylphenyl)phosphanylformonitrile?
The canonical SMILES for (2,4,6-trimethylphenyl)phosphanylformonitrile is Cc1cc(C)c(PC#N)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl)phosphanylformonitrile?
The InChIKey is VZIZKXVGAKBLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NP/c1-7-4-8(2)10(12-6-11)9(3)5-7/h4-5,12H,1-3H3.
What are the key properties of (2,4,6-trimethylphenyl)phosphanylformonitrile?
(2,4,6-trimethylphenyl)phosphanylformonitrile has a molecular weight of 177.19 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)phosphanylformonitrile is sourced from PubChem (CID 102014448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).