1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol

C14H14ClNO — CID 63155579

IUPAC1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H14ClNO/c1-10-3-4-12(9-16-10)14(2,17)11-5-7-13(15)8-6-11/h3-9,17H,1-2H3
InChIKeyKKSZTCRUXNJJGP-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol

1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol (PubChem CID 63155579) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
PubChem CID63155579
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H14ClNO/c1-10-3-4-12(9-16-10)14(2,17)11-5-7-13(15)8-6-11/h3-9,17H,1-2H3
InChIKeyKKSZTCRUXNJJGP-UHFFFAOYSA-N
XLogP3.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
1-(6-methyl-3-pyridinyl)-1-(5-methylthiophen-2-yl)ethanol
CID 114910603
1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 127018337
1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
1-(6-chloro-3-pyridinyl)-1-(4-methoxyphenyl)ethanol
CID 175567565
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
CID 12969771
2-methyl-3-(6-methyl-3-pyridinyl)pentan-3-ol
CID 63155846
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
5-chloro-2-methylpyridine;ethane;5-fluoro-2-methylpyridine;2-methyl-5-(trifluoromethyl)pyridine
CID 142379110

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol (CID 63155579) is 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol is Cc1ccc(C(C)(O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is KKSZTCRUXNJJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-3-4-12(9-16-10)14(2,17)11-5-7-13(15)8-6-11/h3-9,17H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol?
1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 247.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 63155579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).