[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol

C16H18ClNO2 — CID 105067086

IUPAC[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1cnccc1CO
InChIInChI=1S/C16H18ClNO2/c1-10(2)13-7-15(11(3)6-14(13)17)20-16-8-18-5-4-12(16)9-19/h4-8,10,19H,9H2,1-3H3
InChIKeyQIPKCNUOBJVLTH-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.45
Rot. Bonds4

About [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol

[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol (PubChem CID 105067086) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol
PubChem CID105067086
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1cnccc1CO
InChIInChI=1S/C16H18ClNO2/c1-10(2)13-7-15(11(3)6-14(13)17)20-16-8-18-5-4-12(16)9-19/h4-8,10,19H,9H2,1-3H3
InChIKeyQIPKCNUOBJVLTH-UHFFFAOYSA-N
XLogP4.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61256523
[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
4-(chloromethyl)-3-(5-chloro-2-methylphenoxy)pyridine
CID 105067739
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridin-4-amine
CID 63457442
[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 105067223
[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methanol
CID 105067210
1-[5-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]ethanol
CID 83110707
2,4-dichloro-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-1,3,5-triazine
CID 60726056
1-[4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)phenyl]ethanol
CID 43506602
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862
2-bromo-6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine
CID 63961923
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 43351972

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol?
The IUPAC name of [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol (CID 105067086) is [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol?
The canonical SMILES for [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol is Cc1cc(Cl)c(C(C)C)cc1Oc1cnccc1CO.
What is the InChIKey of [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol?
The InChIKey is QIPKCNUOBJVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-10(2)13-7-15(11(3)6-14(13)17)20-16-8-18-5-4-12(16)9-19/h4-8,10,19H,9H2,1-3H3.
What are the key properties of [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol?
[3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol has a molecular weight of 291.78 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 105067086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).