3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine

C16H18ClNO — CID 163701296

IUPAC3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine
SMILESCc1nc(C)c(CCl)c(OCc2ccccc2)c1C
InChIInChI=1S/C16H18ClNO/c1-11-12(2)18-13(3)15(9-17)16(11)19-10-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3
InChIKeyKBFOXTUYCGOBGC-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.32
Rot. Bonds4

About 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine

3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine (PubChem CID 163701296) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine
PubChem CID163701296
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine
SMILESCc1nc(C)c(CCl)c(OCc2ccccc2)c1C
InChIInChI=1S/C16H18ClNO/c1-11-12(2)18-13(3)15(9-17)16(11)19-10-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3
InChIKeyKBFOXTUYCGOBGC-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
4-(chloromethyl)-1,3-dimethyl-5-phenylmethoxypyrazole
CID 28964580
ethane;ethyl 2-chloro-5,6-dimethyl-4-phenylmethoxypyridine-3-carboxylate
CID 169250389
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
6-chloro-3-methoxy-2-methyl-4-phenylmethoxypyridine
CID 169250017
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
N-methyl-2-[2,4,5-trimethyl-3,6-bis(phenylmethoxy)phenyl]ethanamine
CID 86653767
phenyl 4,5-bis(chloromethyl)-3-fluoro-2-methyl-6-phenylmethoxybenzoate
CID 58493226
2-(chloromethyl)-4-phenylmethoxy-3-propan-2-ylquinoline
CID 59527542
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
CID 15619962
4-chloro-3,5-dimethyl-2-phenylmethoxypyridine
CID 139821187

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine?
The IUPAC name of 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine (CID 163701296) is 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine.
What is the SMILES notation for 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine?
The canonical SMILES for 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine is Cc1nc(C)c(CCl)c(OCc2ccccc2)c1C.
What is the InChIKey of 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine?
The InChIKey is KBFOXTUYCGOBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-12(2)18-13(3)15(9-17)16(11)19-10-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine?
3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine has a molecular weight of 275.78 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,5,6-trimethyl-4-phenylmethoxypyridine is sourced from PubChem (CID 163701296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).