5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol

C20H27NO — CID 135505763

IUPAC5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
SMILESCCCCCCC(C)(C)c1ccc(-c2ccncc2)c(O)c1
InChIInChI=1S/C20H27NO/c1-4-5-6-7-12-20(2,3)17-8-9-18(19(22)15-17)16-10-13-21-14-11-16/h8-11,13-15,22H,4-7,12H2,1-3H3
InChIKeyKKSUOGHMVRXNGJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.70
Rot. Bonds7

About 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol

5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol (PubChem CID 135505763) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol.

Molecular Properties

Compound Name5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
PubChem CID135505763
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
SMILESCCCCCCC(C)(C)c1ccc(-c2ccncc2)c(O)c1
InChIInChI=1S/C20H27NO/c1-4-5-6-7-12-20(2,3)17-8-9-18(19(22)15-17)16-10-13-21-14-11-16/h8-11,13-15,22H,4-7,12H2,1-3H3
InChIKeyKKSUOGHMVRXNGJ-UHFFFAOYSA-N
XLogP5.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.70
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

2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
4-[5-(2-methyloctan-2-yl)-2-phenylphenyl]phenol
CID 174529240
2-[2,5-bis(hydroxymethyl)phenyl]-5-(2-methyloctan-2-yl)phenol;methanol
CID 142867085
bis(2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol);nickel
CID 87330010
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5-(2-methyloctan-2-yl)phenol
CID 15571562
2-(8-methyl-1,4-dioxaspiro[4.5]dec-7-en-7-yl)-5-(2-methyloctan-2-yl)phenol
CID 57080245
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
3-(2-methyloctan-2-yl)pyridine
CID 126558457
1-ethyl-3-[[2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]phenyl]methyl]urea
CID 11596397
2-[(3E)-hexa-1,3,5-trien-3-yl]-5-(2-methyloctan-2-yl)phenol
CID 143249985
4-(5-methylundecan-5-yl)pyridine
CID 146178387

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol?
The IUPAC name of 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol (CID 135505763) is 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol.
What is the SMILES notation for 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol?
The canonical SMILES for 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol is CCCCCCC(C)(C)c1ccc(-c2ccncc2)c(O)c1.
What is the InChIKey of 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol?
The InChIKey is KKSUOGHMVRXNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-5-6-7-12-20(2,3)17-8-9-18(19(22)15-17)16-10-13-21-14-11-16/h8-11,13-15,22H,4-7,12H2,1-3H3.
What are the key properties of 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol?
5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol has a molecular weight of 297.44 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol is sourced from PubChem (CID 135505763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).