2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol

C21H33NO — CID 15571562

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2=CCCN(C)C2)c(O)c1
InChIInChI=1S/C21H33NO/c1-5-6-7-8-13-21(2,3)18-11-12-19(20(23)15-18)17-10-9-14-22(4)16-17/h10-12,15,23H,5-9,13-14,16H2,1-4H3
InChIKeyUGFWCXQBTKWTNB-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.36
Rot. Bonds7

About 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol (PubChem CID 15571562) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
PubChem CID15571562
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
SMILESCCCCCCC(C)(C)c1ccc(C2=CCCN(C)C2)c(O)c1
InChIInChI=1S/C21H33NO/c1-5-6-7-8-13-21(2,3)18-11-12-19(20(23)15-18)17-10-9-14-22(4)16-17/h10-12,15,23H,5-9,13-14,16H2,1-4H3
InChIKeyUGFWCXQBTKWTNB-UHFFFAOYSA-N
XLogP5.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.36
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

5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
2-[(1R,3R)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
CID 12788232
2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methyldodecan-2-yl)phenol
CID 12788261
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylundecan-2-yl)phenol
CID 23846555
methyl (2S,4R)-4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]piperidine-1-carboxylate
CID 54199905
1-[(2R,4S)-4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 70413207
2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
CID 142867085
cis-(3S,5R)-3-ethyl-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one
CID 12788299
cis-(3R,5S)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-propylcyclohexan-1-one
CID 12788301
bis(2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol);nickel
CID 87330010

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol (CID 15571562) is 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol is CCCCCCC(C)(C)c1ccc(C2=CCCN(C)C2)c(O)c1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
The InChIKey is UGFWCXQBTKWTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-5-6-7-8-13-21(2,3)18-11-12-19(20(23)15-18)17-10-9-14-22(4)16-17/h10-12,15,23H,5-9,13-14,16H2,1-4H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol?
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol has a molecular weight of 315.50 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol is sourced from PubChem (CID 15571562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).