2-phenylmethoxy-1,2-dihydropyridine

C12H13NO — CID 18975042

IUPAC2-phenylmethoxy-1,2-dihydropyridine
SMILESC1=CNC(OCc2ccccc2)C=C1
InChIInChI=1S/C12H13NO/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9,12-13H,10H2
InChIKeySUCOZZGXYYOLIM-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.20
Rot. Bonds3

About 2-phenylmethoxy-1,2-dihydropyridine

2-phenylmethoxy-1,2-dihydropyridine (PubChem CID 18975042) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-phenylmethoxy-1,2-dihydropyridine.

Molecular Properties

Compound Name2-phenylmethoxy-1,2-dihydropyridine
PubChem CID18975042
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-phenylmethoxy-1,2-dihydropyridine
SMILESC1=CNC(OCc2ccccc2)C=C1
InChIInChI=1S/C12H13NO/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9,12-13H,10H2
InChIKeySUCOZZGXYYOLIM-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-phenylethoxy)-1,2-dihydropyridine
CID 173408525
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
N-benzyl-1,2-dihydropyridin-2-amine
CID 19072346
(1R,2S,4R,5S)-3-chloro-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]oct-6-ene
CID 102431638
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
3,4,5-tris(phenylmethoxy)piperidine
CID 14642637
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1,2-dihydropyridine?
The IUPAC name of 2-phenylmethoxy-1,2-dihydropyridine (CID 18975042) is 2-phenylmethoxy-1,2-dihydropyridine.
What is the SMILES notation for 2-phenylmethoxy-1,2-dihydropyridine?
The canonical SMILES for 2-phenylmethoxy-1,2-dihydropyridine is C1=CNC(OCc2ccccc2)C=C1.
What is the InChIKey of 2-phenylmethoxy-1,2-dihydropyridine?
The InChIKey is SUCOZZGXYYOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9,12-13H,10H2.
What are the key properties of 2-phenylmethoxy-1,2-dihydropyridine?
2-phenylmethoxy-1,2-dihydropyridine has a molecular weight of 187.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1,2-dihydropyridine is sourced from PubChem (CID 18975042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).