2-(3-pentyl-4-pyridinyl)phenol

C16H19NO — CID 135745178

IUPAC2-(3-pentyl-4-pyridinyl)phenol
SMILESCCCCCc1cnccc1-c1ccccc1O
InChIInChI=1S/C16H19NO/c1-2-3-4-7-13-12-17-11-10-14(13)15-8-5-6-9-16(15)18/h5-6,8-12,18H,2-4,7H2,1H3
InChIKeyKBAYCCOEMKDKKB-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.19
Rot. Bonds5

About 2-(3-pentyl-4-pyridinyl)phenol

2-(3-pentyl-4-pyridinyl)phenol (PubChem CID 135745178) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3-pentyl-4-pyridinyl)phenol.

Molecular Properties

Compound Name2-(3-pentyl-4-pyridinyl)phenol
PubChem CID135745178
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(3-pentyl-4-pyridinyl)phenol
SMILESCCCCCc1cnccc1-c1ccccc1O
InChIInChI=1S/C16H19NO/c1-2-3-4-7-13-12-17-11-10-14(13)15-8-5-6-9-16(15)18/h5-6,8-12,18H,2-4,7H2,1H3
InChIKeyKBAYCCOEMKDKKB-UHFFFAOYSA-N
XLogP4.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.19
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-(2-pentylphenyl)phenol
CID 66866892
2-(2-hydroxyphenyl)-6-pentylphenol
CID 174858636
2-(2-heptyl-4-propan-2-ylphenyl)phenol
CID 152650240
2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
(4-butyl-3-pyridinyl)methanol
CID 173058896
4-heptyl-3-methylpyridine
CID 143666243
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
3-(3-fluorohexyl)-4-(2-hexoxyphenyl)pyridine
CID 19807967

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentyl-4-pyridinyl)phenol?
The IUPAC name of 2-(3-pentyl-4-pyridinyl)phenol (CID 135745178) is 2-(3-pentyl-4-pyridinyl)phenol.
What is the SMILES notation for 2-(3-pentyl-4-pyridinyl)phenol?
The canonical SMILES for 2-(3-pentyl-4-pyridinyl)phenol is CCCCCc1cnccc1-c1ccccc1O.
What is the InChIKey of 2-(3-pentyl-4-pyridinyl)phenol?
The InChIKey is KBAYCCOEMKDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-4-7-13-12-17-11-10-14(13)15-8-5-6-9-16(15)18/h5-6,8-12,18H,2-4,7H2,1H3.
What are the key properties of 2-(3-pentyl-4-pyridinyl)phenol?
2-(3-pentyl-4-pyridinyl)phenol has a molecular weight of 241.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentyl-4-pyridinyl)phenol is sourced from PubChem (CID 135745178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).