gold;1-pentyl-2-phenylbenzene

C17H20Au — CID 174945702

IUPACgold;1-pentyl-2-phenylbenzene
SMILESCCCCCc1ccccc1-c1ccccc1.[Au]
InChIInChI=1S/C17H20.Au/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16;/h4,6-9,11-14H,2-3,5,10H2,1H3;
InChIKeyLEZHHDUOOAZOGG-UHFFFAOYSA-N
MW421.31 g/mol
LogP5.08
Rot. Bonds5

About gold;1-pentyl-2-phenylbenzene

gold;1-pentyl-2-phenylbenzene (PubChem CID 174945702) has the molecular formula C17H20Au and a molecular weight of 421.31 g/mol. Its IUPAC name is gold;1-pentyl-2-phenylbenzene.

Molecular Properties

Compound Namegold;1-pentyl-2-phenylbenzene
PubChem CID174945702
Molecular FormulaC17H20Au
Molecular Weight421.31 g/mol
Exact Mass421.12
IUPAC Namegold;1-pentyl-2-phenylbenzene
SMILESCCCCCc1ccccc1-c1ccccc1.[Au]
InChIInChI=1S/C17H20.Au/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16;/h4,6-9,11-14H,2-3,5,10H2,1H3;
InChIKeyLEZHHDUOOAZOGG-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
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
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
4-(2-pentylphenyl)benzonitrile
CID 69050973
1-chloropentane;2-(2-phenylphenyl)ethanol
CID 174777739
(2-octyl-6-phenylphenyl)methanamine;hydrochloride
CID 118513340

Frequently Asked Questions

What is the IUPAC name of gold;1-pentyl-2-phenylbenzene?
The IUPAC name of gold;1-pentyl-2-phenylbenzene (CID 174945702) is gold;1-pentyl-2-phenylbenzene.
What is the SMILES notation for gold;1-pentyl-2-phenylbenzene?
The canonical SMILES for gold;1-pentyl-2-phenylbenzene is CCCCCc1ccccc1-c1ccccc1.[Au].
What is the InChIKey of gold;1-pentyl-2-phenylbenzene?
The InChIKey is LEZHHDUOOAZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.Au/c1-2-3-5-10-15-13-8-9-14-17(15)16-11-6-4-7-12-16;/h4,6-9,11-14H,2-3,5,10H2,1H3;.
What are the key properties of gold;1-pentyl-2-phenylbenzene?
gold;1-pentyl-2-phenylbenzene has a molecular weight of 421.31 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for gold;1-pentyl-2-phenylbenzene is sourced from PubChem (CID 174945702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).