1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol

C16H18ClNO — CID 115822400

IUPAC1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Cl)c(C)c2)nc1
InChIInChI=1S/C16H18ClNO/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyBAWKXXXPEGAZIG-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.88
Rot. Bonds4

About 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol

1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol (PubChem CID 115822400) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
PubChem CID115822400
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
SMILESCCc1ccc(CC(O)c2ccc(Cl)c(C)c2)nc1
InChIInChI=1S/C16H18ClNO/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10,16,19H,3,9H2,1-2H3
InChIKeyBAWKXXXPEGAZIG-UHFFFAOYSA-N
XLogP3.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822386
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 79739804
1-(4-bromo-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81447383
2-(5-ethyl-2-pyridinyl)-1-(4-methylphenyl)ethanol
CID 79740116
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
1-(4-bromo-3-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 81437627
2-(5-ethyl-2-pyridinyl)-1-pyrimidin-5-ylethanol
CID 102924082
2-(5-ethyl-2-pyridinyl)-1-pyridin-4-ylethanol
CID 79739696
[1-(3,4-dichlorophenyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105257061
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
1-(5-chloro-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 114853153
2-(5-ethyl-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937798

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol (CID 115822400) is 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol is CCc1ccc(CC(O)c2ccc(Cl)c(C)c2)nc1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
The InChIKey is BAWKXXXPEGAZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10,16,19H,3,9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol?
1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol has a molecular weight of 275.78 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol is sourced from PubChem (CID 115822400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).