1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol

C17H21NO — CID 107502681

IUPAC1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
SMILESCc1cc(C(O)CCCc2ccccc2)cc(C)n1
InChIInChI=1S/C17H21NO/c1-13-11-16(12-14(2)18-13)17(19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12,17,19H,6,9-10H2,1-2H3
InChIKeyLYWUWOBYIFPZFC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol

1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol (PubChem CID 107502681) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
PubChem CID107502681
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol
SMILESCc1cc(C(O)CCCc2ccccc2)cc(C)n1
InChIInChI=1S/C17H21NO/c1-13-11-16(12-14(2)18-13)17(19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12,17,19H,6,9-10H2,1-2H3
InChIKeyLYWUWOBYIFPZFC-UHFFFAOYSA-N
XLogP3.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 107503560
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(3,5-dibromophenyl)-4-phenylbutan-1-ol
CID 107978286
1-(3-fluoro-4-methylphenyl)-4-phenylbutan-1-ol
CID 62608212
1-(2,6-dimethyl-4-pyridinyl)-4-methylpentan-1-ol
CID 107502818
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
4-phenyl-1-quinolin-6-ylbutan-1-ol
CID 63097205
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
4-(1-hydroxy-4-phenylbutyl)benzoic acid
CID 14816598
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
CID 64513068
1-(2,5-dimethylfuran-3-yl)-4-phenylbutan-1-ol
CID 115791080

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol (CID 107502681) is 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol is Cc1cc(C(O)CCCc2ccccc2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol?
The InChIKey is LYWUWOBYIFPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-11-16(12-14(2)18-13)17(19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11-12,17,19H,6,9-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol?
1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-4-phenylbutan-1-ol is sourced from PubChem (CID 107502681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).