1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol

C16H18ClNO — CID 105089032

IUPAC1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccncc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-11(2)13-5-3-12(4-6-13)9-16(19)14-7-8-18-10-15(14)17/h3-8,10-11,16,19H,9H2,1-2H3
InChIKeyUSSXZHISVIYYNU-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.13
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol

1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 105089032) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID105089032
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccncc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-11(2)13-5-3-12(4-6-13)9-16(19)14-7-8-18-10-15(14)17/h3-8,10-11,16,19H,9H2,1-2H3
InChIKeyUSSXZHISVIYYNU-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(3,4-dichlorophenyl)ethanol
CID 105088030
1-(3-chloro-4-pyridinyl)propan-1-ol
CID 105088541
1-(3-chloro-4-pyridinyl)ethanol
CID 67428643
(1S)-1-(3-chloro-4-pyridinyl)ethanol
CID 59186881
1-(3-chloro-4-pyridinyl)-2-(1-methylimidazol-2-yl)ethanol
CID 105113541
1-(3-chloro-4-pyridinyl)octan-1-ol
CID 105085038
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
1-[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]ethanol
CID 122159447
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol (CID 105089032) is 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2ccncc2Cl)cc1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is USSXZHISVIYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(2)13-5-3-12(4-6-13)9-16(19)14-7-8-18-10-15(14)17/h3-8,10-11,16,19H,9H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol?
1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 275.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 105089032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).