(4-octyl-2-pyridinyl)methanol

C14H23NO — CID 156538031

IUPAC(4-octyl-2-pyridinyl)methanol
SMILESCCCCCCCCc1ccnc(CO)c1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-13-9-10-15-14(11-13)12-16/h9-11,16H,2-8,12H2,1H3
InChIKeyDHGMYNXYOGNJGX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.48
Rot. Bonds8

About (4-octyl-2-pyridinyl)methanol

(4-octyl-2-pyridinyl)methanol (PubChem CID 156538031) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4-octyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-octyl-2-pyridinyl)methanol
PubChem CID156538031
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4-octyl-2-pyridinyl)methanol
SMILESCCCCCCCCc1ccnc(CO)c1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-13-9-10-15-14(11-13)12-16/h9-11,16H,2-8,12H2,1H3
InChIKeyDHGMYNXYOGNJGX-UHFFFAOYSA-N
XLogP3.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.48
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

4-dodecyl-2-(4-dodecyl-2-pyridinyl)pyridine
CID 11283283
4-nonadecyl-2-(4-nonadecyl-2-pyridinyl)pyridine
CID 12503697
2-(4-decyl-2-pyridinyl)-4-octylpyridine
CID 102418537
4-tridecyl-2-(4-tridecyl-2-pyridinyl)pyridine
CID 15313372
2-decyl-4-ethylpyridine;tetradecane
CID 174509045
4-hexyl-2-(4-hexyl-2-pyridinyl)pyridine;ruthenium
CID 159580616
cobalt;tris(4-nonyl-2-(4-nonyl-2-pyridinyl)pyridine)
CID 140844101
2-chloro-4-hexadecylpyridine
CID 170566187
2-chloro-4-pentadecylpyridine
CID 174517606
4-docosylpyridine-2-carboxylic acid
CID 174759337
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
(4-butoxy-2-pyridinyl)methanol
CID 61256357

Frequently Asked Questions

What is the IUPAC name of (4-octyl-2-pyridinyl)methanol?
The IUPAC name of (4-octyl-2-pyridinyl)methanol (CID 156538031) is (4-octyl-2-pyridinyl)methanol.
What is the SMILES notation for (4-octyl-2-pyridinyl)methanol?
The canonical SMILES for (4-octyl-2-pyridinyl)methanol is CCCCCCCCc1ccnc(CO)c1.
What is the InChIKey of (4-octyl-2-pyridinyl)methanol?
The InChIKey is DHGMYNXYOGNJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-13-9-10-15-14(11-13)12-16/h9-11,16H,2-8,12H2,1H3.
What are the key properties of (4-octyl-2-pyridinyl)methanol?
(4-octyl-2-pyridinyl)methanol has a molecular weight of 221.34 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-octyl-2-pyridinyl)methanol is sourced from PubChem (CID 156538031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).