[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol

C15H16ClNO2 — CID 61255662

IUPAC[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
SMILESCC(C)c1cccc(Oc2ccc(Cl)c(CO)n2)c1
InChIInChI=1S/C15H16ClNO2/c1-10(2)11-4-3-5-12(8-11)19-15-7-6-13(16)14(9-18)17-15/h3-8,10,18H,9H2,1-2H3
InChIKeyLZJIRUHDTCQDDM-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.14
Rot. Bonds4

About [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol

[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol (PubChem CID 61255662) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
PubChem CID61255662
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol
SMILESCC(C)c1cccc(Oc2ccc(Cl)c(CO)n2)c1
InChIInChI=1S/C15H16ClNO2/c1-10(2)11-4-3-5-12(8-11)19-15-7-6-13(16)14(9-18)17-15/h3-8,10,18H,9H2,1-2H3
InChIKeyLZJIRUHDTCQDDM-UHFFFAOYSA-N
XLogP4.14
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]methanol
CID 61257718
[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
CID 61257343
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842
2-methoxy-6-(3-propan-2-ylphenoxy)pyridin-3-amine
CID 43262016
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
2-methyl-6-(3-propan-2-ylphenoxy)pyridin-3-amine
CID 79020672
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55127790
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
N-ethyl-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864399
2-chloro-6-(3-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343545

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol (CID 61255662) is [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol is CC(C)c1cccc(Oc2ccc(Cl)c(CO)n2)c1.
What is the InChIKey of [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol?
The InChIKey is LZJIRUHDTCQDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10(2)11-4-3-5-12(8-11)19-15-7-6-13(16)14(9-18)17-15/h3-8,10,18H,9H2,1-2H3.
What are the key properties of [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol?
[3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol has a molecular weight of 277.75 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3-propan-2-ylphenoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61255662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).