1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol

C15H16ClNO — CID 103443569

IUPAC1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ncccc2Cl)cc1C
InChIInChI=1S/C15H16ClNO/c1-10-5-6-12(8-11(10)2)9-14(18)15-13(16)4-3-7-17-15/h3-8,14,18H,9H2,1-2H3
InChIKeyLHEIHGLANLEBOP-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.63
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol

1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol (PubChem CID 103443569) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
PubChem CID103443569
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(CC(O)c2ncccc2Cl)cc1C
InChIInChI=1S/C15H16ClNO/c1-10-5-6-12(8-11(10)2)9-14(18)15-13(16)4-3-7-17-15/h3-8,14,18H,9H2,1-2H3
InChIKeyLHEIHGLANLEBOP-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 107884392
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
CID 107560175
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443505
1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
1-(3-chloro-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 103443585
1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039701
2-(tert-butylamino)-1-(3-chloro-2-pyridinyl)ethanol
CID 138472942
2-(2-bromo-4-fluorophenyl)-1-(3-chloro-2-pyridinyl)ethanol
CID 103443644
1-(2-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-ol
CID 66153728
1-(3-methoxy-2-pyridinyl)-2-(3-methylphenyl)ethanol
CID 114053750

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol (CID 103443569) is 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol is Cc1ccc(CC(O)c2ncccc2Cl)cc1C.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol?
The InChIKey is LHEIHGLANLEBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10-5-6-12(8-11(10)2)9-14(18)15-13(16)4-3-7-17-15/h3-8,14,18H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol?
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol has a molecular weight of 261.75 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 103443569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).