formonitrile;1-pentyl-2-phenylbenzene

C18H21N — CID 67877805

IUPACformonitrile;1-pentyl-2-phenylbenzene
SMILESC#N.CCCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20.CHN/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16;1-2/h4,6-9,11-14H,2-3,5,10H2,1H3;1H
InChIKeyBFINQODGRLNSLM-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.23
Rot. Bonds5

About formonitrile;1-pentyl-2-phenylbenzene

formonitrile;1-pentyl-2-phenylbenzene (PubChem CID 67877805) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is formonitrile;1-pentyl-2-phenylbenzene.

Molecular Properties

Compound Nameformonitrile;1-pentyl-2-phenylbenzene
PubChem CID67877805
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Nameformonitrile;1-pentyl-2-phenylbenzene
SMILESC#N.CCCCCc1ccccc1-c1ccccc1
InChIInChI=1S/C17H20.CHN/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16;1-2/h4,6-9,11-14H,2-3,5,10H2,1H3;1H
InChIKeyBFINQODGRLNSLM-UHFFFAOYSA-N
XLogP5.23
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

gold;1-pentyl-2-phenylbenzene
CID 174945702
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
4-(2-pentylphenyl)benzonitrile
CID 69050973
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
1-hexyl-2,3-diphenylbenzene
CID 54065322
1-methyl-3-(2-pentylphenyl)benzene
CID 54116278
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
2-cyclohexyl-1-pentyl-3-phenylbenzene;formonitrile
CID 70430440
1-chloropentane;2-(2-phenylphenyl)ethanol
CID 174777739

Frequently Asked Questions

What is the IUPAC name of formonitrile;1-pentyl-2-phenylbenzene?
The IUPAC name of formonitrile;1-pentyl-2-phenylbenzene (CID 67877805) is formonitrile;1-pentyl-2-phenylbenzene.
What is the SMILES notation for formonitrile;1-pentyl-2-phenylbenzene?
The canonical SMILES for formonitrile;1-pentyl-2-phenylbenzene is C#N.CCCCCc1ccccc1-c1ccccc1.
What is the InChIKey of formonitrile;1-pentyl-2-phenylbenzene?
The InChIKey is BFINQODGRLNSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.CHN/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16;1-2/h4,6-9,11-14H,2-3,5,10H2,1H3;1H.
What are the key properties of formonitrile;1-pentyl-2-phenylbenzene?
formonitrile;1-pentyl-2-phenylbenzene has a molecular weight of 251.37 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1-pentyl-2-phenylbenzene is sourced from PubChem (CID 67877805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).