4-(6-pentylquinolin-2-yl)phenol

C20H21NO — CID 135525498

IUPAC4-(6-pentylquinolin-2-yl)phenol
SMILESCCCCCc1ccc2nc(-c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C20H21NO/c1-2-3-4-5-15-6-12-20-17(14-15)9-13-19(21-20)16-7-10-18(22)11-8-16/h6-14,22H,2-5H2,1H3
InChIKeyHWXXHVUQSAILOI-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.34
Rot. Bonds5

About 4-(6-pentylquinolin-2-yl)phenol

4-(6-pentylquinolin-2-yl)phenol (PubChem CID 135525498) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(6-pentylquinolin-2-yl)phenol.

Molecular Properties

Compound Name4-(6-pentylquinolin-2-yl)phenol
PubChem CID135525498
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4-(6-pentylquinolin-2-yl)phenol
SMILESCCCCCc1ccc2nc(-c3ccc(O)cc3)ccc2c1
InChIInChI=1S/C20H21NO/c1-2-3-4-5-15-6-12-20-17(14-15)9-13-19(21-20)16-7-10-18(22)11-8-16/h6-14,22H,2-5H2,1H3
InChIKeyHWXXHVUQSAILOI-UHFFFAOYSA-N
XLogP5.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
2-[4-(7-cyclopentylheptoxy)phenyl]-6-octylquinoline
CID 19083556
2-(4-decylphenyl)-6-octylquinoxaline
CID 59933390
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
3-hexylacridine
CID 21394642
methanolate;nickel(3+);4-octylphenol
CID 159960852
CID 162318522
CID 162318522
tris(4-octylphenol);propane
CID 90866185
nickel;4-octylphenol
CID 87833867
18-ethyl-7-hexyl-2,11,15-triazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 59467624

Frequently Asked Questions

What is the IUPAC name of 4-(6-pentylquinolin-2-yl)phenol?
The IUPAC name of 4-(6-pentylquinolin-2-yl)phenol (CID 135525498) is 4-(6-pentylquinolin-2-yl)phenol.
What is the SMILES notation for 4-(6-pentylquinolin-2-yl)phenol?
The canonical SMILES for 4-(6-pentylquinolin-2-yl)phenol is CCCCCc1ccc2nc(-c3ccc(O)cc3)ccc2c1.
What is the InChIKey of 4-(6-pentylquinolin-2-yl)phenol?
The InChIKey is HWXXHVUQSAILOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-3-4-5-15-6-12-20-17(14-15)9-13-19(21-20)16-7-10-18(22)11-8-16/h6-14,22H,2-5H2,1H3.
What are the key properties of 4-(6-pentylquinolin-2-yl)phenol?
4-(6-pentylquinolin-2-yl)phenol has a molecular weight of 291.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pentylquinolin-2-yl)phenol is sourced from PubChem (CID 135525498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).