8-(4-azidophenyl)octanoic acid

C14H19N3O2 — CID 91667077

IUPAC8-(4-azidophenyl)octanoic acid
SMILES[N-]=[N+]=Nc1ccc(CCCCCCCC(=O)O)cc1
InChIInChI=1S/C14H19N3O2/c15-17-16-13-10-8-12(9-11-13)6-4-2-1-3-5-7-14(18)19/h8-11H,1-7H2,(H,18,19)
InChIKeyAMNNPTDFTJJXGN-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.60
Rot. Bonds9

About 8-(4-azidophenyl)octanoic acid

8-(4-azidophenyl)octanoic acid (PubChem CID 91667077) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-(4-azidophenyl)octanoic acid.

Molecular Properties

Compound Name8-(4-azidophenyl)octanoic acid
PubChem CID91667077
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name8-(4-azidophenyl)octanoic acid
SMILES[N-]=[N+]=Nc1ccc(CCCCCCCC(=O)O)cc1
InChIInChI=1S/C14H19N3O2/c15-17-16-13-10-8-12(9-11-13)6-4-2-1-3-5-7-14(18)19/h8-11H,1-7H2,(H,18,19)
InChIKeyAMNNPTDFTJJXGN-UHFFFAOYSA-N
XLogP4.60
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

15-phenylpentadecanoic acid
CID 2737151
7-(4-iodophenyl)heptanoic acid
CID 177483295
6-(4-fluorophenyl)hexanoic acid
CID 14739735
10-(4-methylphenyl)decanoic acid
CID 54262490
11-[4-[(4-pentylphenyl)diazenyl]phenoxy]undecanoic acid
CID 101447317
6-[4-[(4-octylphenyl)diazenyl]phenoxy]hexanoic acid
CID 56996290
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
6-pyridin-4-ylhexanoic acid
CID 12904562
14-(4-sulfophenyl)tetradecanoic acid
CID 90747531
4-[4-[(4-dodecylphenyl)diazenyl]phenoxy]butanoic acid
CID 86173212
20-(4-phenylsulfanylphenyl)icosanoic acid
CID 173410198

Frequently Asked Questions

What is the IUPAC name of 8-(4-azidophenyl)octanoic acid?
The IUPAC name of 8-(4-azidophenyl)octanoic acid (CID 91667077) is 8-(4-azidophenyl)octanoic acid.
What is the SMILES notation for 8-(4-azidophenyl)octanoic acid?
The canonical SMILES for 8-(4-azidophenyl)octanoic acid is [N-]=[N+]=Nc1ccc(CCCCCCCC(=O)O)cc1.
What is the InChIKey of 8-(4-azidophenyl)octanoic acid?
The InChIKey is AMNNPTDFTJJXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-17-16-13-10-8-12(9-11-13)6-4-2-1-3-5-7-14(18)19/h8-11H,1-7H2,(H,18,19).
What are the key properties of 8-(4-azidophenyl)octanoic acid?
8-(4-azidophenyl)octanoic acid has a molecular weight of 261.32 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-azidophenyl)octanoic acid is sourced from PubChem (CID 91667077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).