1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol

C18H22ClNO2 — CID 19817034

IUPAC1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol
SMILESCc1cc(OCC(O)(c2cccnc2)C(C)(C)C)ccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-13-10-15(7-8-16(13)19)22-12-18(21,17(2,3)4)14-6-5-9-20-11-14/h5-11,21H,12H2,1-4H3
InChIKeyUIRGMXNPRWWRJV-UHFFFAOYSA-N
MW319.83 g/mol
LogP4.36
Rot. Bonds4

About 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol

1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol (PubChem CID 19817034) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol
PubChem CID19817034
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol
SMILESCc1cc(OCC(O)(c2cccnc2)C(C)(C)C)ccc1Cl
InChIInChI=1S/C18H22ClNO2/c1-13-10-15(7-8-16(13)19)22-12-18(21,17(2,3)4)14-6-5-9-20-11-14/h5-11,21H,12H2,1-4H3
InChIKeyUIRGMXNPRWWRJV-UHFFFAOYSA-N
XLogP4.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633949
2-(4-chloro-3-methylphenoxy)-N-pyridin-3-ylsulfonylacetamide
CID 95301732
2-[(3,4-dichlorophenoxy)methyl]-2-pyridin-3-ylpent-4-enenitrile
CID 14550712
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 56757268
4-(3,4-dichlorophenoxy)-2-ethyl-2-pyridin-3-ylbutanenitrile
CID 14550729
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783
2-[(4-chloro-3-methylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46003327
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol (CID 19817034) is 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol is Cc1cc(OCC(O)(c2cccnc2)C(C)(C)C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol?
The InChIKey is UIRGMXNPRWWRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-13-10-15(7-8-16(13)19)22-12-18(21,17(2,3)4)14-6-5-9-20-11-14/h5-11,21H,12H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol?
1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol has a molecular weight of 319.83 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-3,3-dimethyl-2-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 19817034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).