(3-octyl-4-pyridin-2-ylphenyl)methanol

C20H27NO — CID 170633593

IUPAC(3-octyl-4-pyridin-2-ylphenyl)methanol
SMILESCCCCCCCCc1cc(CO)ccc1-c1ccccn1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-7-10-18-15-17(16-22)12-13-19(18)20-11-8-9-14-21-20/h8-9,11-15,22H,2-7,10,16H2,1H3
InChIKeyCBFWJKITKYJBJH-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.14
Rot. Bonds9

About (3-octyl-4-pyridin-2-ylphenyl)methanol

(3-octyl-4-pyridin-2-ylphenyl)methanol (PubChem CID 170633593) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (3-octyl-4-pyridin-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3-octyl-4-pyridin-2-ylphenyl)methanol
PubChem CID170633593
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(3-octyl-4-pyridin-2-ylphenyl)methanol
SMILESCCCCCCCCc1cc(CO)ccc1-c1ccccn1
InChIInChI=1S/C20H27NO/c1-2-3-4-5-6-7-10-18-15-17(16-22)12-13-19(18)20-11-8-9-14-21-20/h8-9,11-15,22H,2-7,10,16H2,1H3
InChIKeyCBFWJKITKYJBJH-UHFFFAOYSA-N
XLogP5.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.14
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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Frequently Asked Questions

What is the IUPAC name of (3-octyl-4-pyridin-2-ylphenyl)methanol?
The IUPAC name of (3-octyl-4-pyridin-2-ylphenyl)methanol (CID 170633593) is (3-octyl-4-pyridin-2-ylphenyl)methanol.
What is the SMILES notation for (3-octyl-4-pyridin-2-ylphenyl)methanol?
The canonical SMILES for (3-octyl-4-pyridin-2-ylphenyl)methanol is CCCCCCCCc1cc(CO)ccc1-c1ccccn1.
What is the InChIKey of (3-octyl-4-pyridin-2-ylphenyl)methanol?
The InChIKey is CBFWJKITKYJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-2-3-4-5-6-7-10-18-15-17(16-22)12-13-19(18)20-11-8-9-14-21-20/h8-9,11-15,22H,2-7,10,16H2,1H3.
What are the key properties of (3-octyl-4-pyridin-2-ylphenyl)methanol?
(3-octyl-4-pyridin-2-ylphenyl)methanol has a molecular weight of 297.44 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-octyl-4-pyridin-2-ylphenyl)methanol is sourced from PubChem (CID 170633593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).