(2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol

C19H25NO — CID 22005216

IUPAC(2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol
SMILESCCCCCc1c(C)nc(C)c(CO)c1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-5-7-12-17-14(2)20-15(3)18(13-21)19(17)16-10-8-6-9-11-16/h6,8-11,21H,4-5,7,12-13H2,1-3H3
InChIKeyFMKSMJOWDSQAAW-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.59
Rot. Bonds6

About (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol

(2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol (PubChem CID 22005216) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol
PubChem CID22005216
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name(2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol
SMILESCCCCCc1c(C)nc(C)c(CO)c1-c1ccccc1
InChIInChI=1S/C19H25NO/c1-4-5-7-12-17-14(2)20-15(3)18(13-21)19(17)16-10-8-6-9-11-16/h6,8-11,21H,4-5,7,12-13H2,1-3H3
InChIKeyFMKSMJOWDSQAAW-UHFFFAOYSA-N
XLogP4.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.59
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 (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
The IUPAC name of (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol (CID 22005216) is (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol.
What is the SMILES notation for (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
The canonical SMILES for (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol is CCCCCc1c(C)nc(C)c(CO)c1-c1ccccc1.
What is the InChIKey of (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
The InChIKey is FMKSMJOWDSQAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-5-7-12-17-14(2)20-15(3)18(13-21)19(17)16-10-8-6-9-11-16/h6,8-11,21H,4-5,7,12-13H2,1-3H3.
What are the key properties of (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol?
(2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol has a molecular weight of 283.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-5-pentyl-4-phenyl-3-pyridinyl)methanol is sourced from PubChem (CID 22005216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).