4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol

C22H28ClNO — CID 142310956

IUPAC4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol
SMILESCCC(C)(C)/C=C/c1nc(-c2ccc(Cl)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H28ClNO/c1-7-22(5,6)13-12-18-20(25)17(21(2,3)4)14-19(24-18)15-8-10-16(23)11-9-15/h8-14,25H,7H2,1-6H3/b13-12+
InChIKeyWPTSVQROFHCWLB-OUKQBFOZSA-N
MW357.93 g/mol
LogP6.85
Rot. Bonds4

About 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol

4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol (PubChem CID 142310956) has the molecular formula C22H28ClNO and a molecular weight of 357.93 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol.

Molecular Properties

Compound Name4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol
PubChem CID142310956
Molecular FormulaC22H28ClNO
Molecular Weight357.93 g/mol
Exact Mass357.19
IUPAC Name4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol
SMILESCCC(C)(C)/C=C/c1nc(-c2ccc(Cl)cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H28ClNO/c1-7-22(5,6)13-12-18-20(25)17(21(2,3)4)14-19(24-18)15-8-10-16(23)11-9-15/h8-14,25H,7H2,1-6H3/b13-12+
InChIKeyWPTSVQROFHCWLB-OUKQBFOZSA-N
XLogP6.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.93
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetaldehyde;butane;4-tert-butyl-6-(4-chloro-3-phosphanylphenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol;ethane;methanol;1-prop-2-enylcyclopentane-1-carbaldehyde
CID 142311371
acetaldehyde;butane;4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-[(E)-3,3-dimethylhept-1-enyl]pyridin-3-ol;cyclopropyl-(2-methyl-1,3-thiazol-4-yl)methanone;ethane
CID 142311237
buta-1,3-diene;butane;4-tert-butyl-6-(4-chloro-3-phosphanylphenyl)-2-[(E)-3,3-dimethylhex-1-enyl]pyridin-3-ol;2-methylbutanal;3-methyl-2-propan-2-ylidenepentanoic acid
CID 142310846
4-tert-butyl-6-(4-chlorophenyl)-2-methylpyridin-3-amine
CID 142310931
4,6-bis(4-chlorophenyl)-N-propylpyrimidin-2-amine
CID 70871060
butane;1-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2,2-dimethylpentane
CID 142310936
2-tert-butyl-6-(4-chlorophenyl)pyridine-4-carboxamide
CID 150434050
1-[6-(4-chlorophenyl)-2,3-bis(ethenyl)-4-pyridinyl]-2-(ethylamino)butan-1-one
CID 144802732
butane;7-tert-butyl-5-(4-chlorophenyl)-2-(2-methylbutan-2-yl)furo[3,2-b]pyridine;2-methylbutanal;(3E)-4-methyl-3-[(propan-2-ylideneamino)methylidene]penta-1,4-dien-2-ol
CID 142311090
2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
CID 117356716
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
3-(4-chlorophenyl)-5-ethyl-1H-pyrazole
CID 123618516

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol?
The IUPAC name of 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol (CID 142310956) is 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol.
What is the SMILES notation for 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol?
The canonical SMILES for 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol is CCC(C)(C)/C=C/c1nc(-c2ccc(Cl)cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol?
The InChIKey is WPTSVQROFHCWLB-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H28ClNO/c1-7-22(5,6)13-12-18-20(25)17(21(2,3)4)14-19(24-18)15-8-10-16(23)11-9-15/h8-14,25H,7H2,1-6H3/b13-12+.
What are the key properties of 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol?
4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol has a molecular weight of 357.93 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-chlorophenyl)-2-[(E)-3,3-dimethylpent-1-enyl]pyridin-3-ol is sourced from PubChem (CID 142310956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).