1-butyl-2-phenylbenzene;2H-tetrazole

C17H20N4 — CID 174693123

IUPAC1-butyl-2-phenylbenzene;2H-tetrazole
SMILESCCCCc1ccccc1-c1ccccc1.c1nn[nH]n1
InChIInChI=1S/C16H18.CH2N4/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-2-4-5-3-1/h4-8,10-13H,2-3,9H2,1H3;1H,(H,2,3,4,5)
InChIKeyNDABPQVGOCODQV-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.90
Rot. Bonds4

About 1-butyl-2-phenylbenzene;2H-tetrazole

1-butyl-2-phenylbenzene;2H-tetrazole (PubChem CID 174693123) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-butyl-2-phenylbenzene;2H-tetrazole.

Molecular Properties

Compound Name1-butyl-2-phenylbenzene;2H-tetrazole
PubChem CID174693123
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-butyl-2-phenylbenzene;2H-tetrazole
SMILESCCCCc1ccccc1-c1ccccc1.c1nn[nH]n1
InChIInChI=1S/C16H18.CH2N4/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-2-4-5-3-1/h4-8,10-13H,2-3,9H2,1H3;1H,(H,2,3,4,5)
InChIKeyNDABPQVGOCODQV-UHFFFAOYSA-N
XLogP3.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
1-butyl-2-phenylbenzene;dihydroxy(oxo)phosphanium
CID 174532098
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CID 67877805
gold;1-pentyl-2-phenylbenzene
CID 174945702
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
5-(2-butylphenyl)-1H-pyrazole
CID 76541456
1-chloropentane;2-(2-phenylphenyl)ethanol
CID 174777739
1-butyl-2-(3-methylphenyl)benzene
CID 174352877
1-butyl-2-(3-butylphenyl)benzene
CID 142022154

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-phenylbenzene;2H-tetrazole?
The IUPAC name of 1-butyl-2-phenylbenzene;2H-tetrazole (CID 174693123) is 1-butyl-2-phenylbenzene;2H-tetrazole.
What is the SMILES notation for 1-butyl-2-phenylbenzene;2H-tetrazole?
The canonical SMILES for 1-butyl-2-phenylbenzene;2H-tetrazole is CCCCc1ccccc1-c1ccccc1.c1nn[nH]n1.
What is the InChIKey of 1-butyl-2-phenylbenzene;2H-tetrazole?
The InChIKey is NDABPQVGOCODQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.CH2N4/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;1-2-4-5-3-1/h4-8,10-13H,2-3,9H2,1H3;1H,(H,2,3,4,5).
What are the key properties of 1-butyl-2-phenylbenzene;2H-tetrazole?
1-butyl-2-phenylbenzene;2H-tetrazole has a molecular weight of 280.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-phenylbenzene;2H-tetrazole is sourced from PubChem (CID 174693123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).