2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol

C16H18ClNO2 — CID 82453379

IUPAC2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol
SMILESCOc1ccc(Cl)cc1-c1ccc(C(C)(C)O)c(C)n1
InChIInChI=1S/C16H18ClNO2/c1-10-13(16(2,3)19)6-7-14(18-10)12-9-11(17)5-8-15(12)20-4/h5-9,19H,1-4H3
InChIKeyKHYXKORWOVNKHB-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.95
Rot. Bonds3

About 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol

2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol (PubChem CID 82453379) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol
PubChem CID82453379
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol
SMILESCOc1ccc(Cl)cc1-c1ccc(C(C)(C)O)c(C)n1
InChIInChI=1S/C16H18ClNO2/c1-10-13(16(2,3)19)6-7-14(18-10)12-9-11(17)5-8-15(12)20-4/h5-9,19H,1-4H3
InChIKeyKHYXKORWOVNKHB-UHFFFAOYSA-N
XLogP3.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-5-(2-hydroxypropan-2-yl)-1H-pyridazin-6-one
CID 82446409
2-[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]propan-2-amine
CID 82452828
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
CID 80952660
1-(5-chloro-2-methoxyphenyl)-1-(4-methylphenyl)ethanol
CID 62787429
3-(5-chloro-2-methoxyphenyl)-1H-pyridazin-6-one
CID 106514741
1-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)ethanol
CID 62786766
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 87577268
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol (CID 82453379) is 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol is COc1ccc(Cl)cc1-c1ccc(C(C)(C)O)c(C)n1.
What is the InChIKey of 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol?
The InChIKey is KHYXKORWOVNKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10-13(16(2,3)19)6-7-14(18-10)12-9-11(17)5-8-15(12)20-4/h5-9,19H,1-4H3.
What are the key properties of 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol?
2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol has a molecular weight of 291.78 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-chloro-2-methoxyphenyl)-2-methyl-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 82453379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).