2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine

C16H18ClNO — CID 154993538

IUPAC2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(C(C)C)cc2Cl)n1
InChIInChI=1S/C16H18ClNO/c1-11(2)13-7-8-16(15(17)9-13)19-10-14-6-4-5-12(3)18-14/h4-9,11H,10H2,1-3H3
InChIKeyHYDRFQYCUWJFLA-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.75
Rot. Bonds4

About 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine

2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine (PubChem CID 154993538) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
PubChem CID154993538
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(C(C)C)cc2Cl)n1
InChIInChI=1S/C16H18ClNO/c1-11(2)13-7-8-16(15(17)9-13)19-10-14-6-4-5-12(3)18-14/h4-9,11H,10H2,1-3H3
InChIKeyHYDRFQYCUWJFLA-UHFFFAOYSA-N
XLogP4.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 79260536
3-chloro-4-[(6-methyl-2-pyridinyl)methoxy]benzaldehyde
CID 79267100
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyrimidine
CID 170747061
5-chloro-2-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine
CID 170746947
2-methyl-6-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 79260812
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-6-methylpyridine
CID 79261295
(1S)-1-[5-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 79267455
6-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine-3-carbonitrile
CID 170746832
3,5-dichloro-4-[(6-methyl-2-pyridinyl)methoxy]phenol
CID 18504624
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-6-methylpyridine
CID 79260684
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248
N-[[3-bromo-4-[(6-methyl-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 79262649

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine?
The IUPAC name of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine (CID 154993538) is 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine?
The canonical SMILES for 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine is Cc1cccc(COc2ccc(C(C)C)cc2Cl)n1.
What is the InChIKey of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine?
The InChIKey is HYDRFQYCUWJFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11(2)13-7-8-16(15(17)9-13)19-10-14-6-4-5-12(3)18-14/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine?
2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine has a molecular weight of 275.78 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-propan-2-ylphenoxy)methyl]-6-methylpyridine is sourced from PubChem (CID 154993538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).