4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine

C21H21NO3 — CID 172671316

IUPAC4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine
SMILESCOc1ccncc1-c1ccc2ccc(OCC3CCCO3)cc2c1
InChIInChI=1S/C21H21NO3/c1-23-21-8-9-22-13-20(21)16-5-4-15-6-7-18(12-17(15)11-16)25-14-19-3-2-10-24-19/h4-9,11-13,19H,2-3,10,14H2,1H3
InChIKeyGZHPQGOHJGVCSH-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.47
Rot. Bonds5

About 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine

4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine (PubChem CID 172671316) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine.

Molecular Properties

Compound Name4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine
PubChem CID172671316
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine
SMILESCOc1ccncc1-c1ccc2ccc(OCC3CCCO3)cc2c1
InChIInChI=1S/C21H21NO3/c1-23-21-8-9-22-13-20(21)16-5-4-15-6-7-18(12-17(15)11-16)25-14-19-3-2-10-24-19/h4-9,11-13,19H,2-3,10,14H2,1H3
InChIKeyGZHPQGOHJGVCSH-UHFFFAOYSA-N
XLogP4.47
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-propan-2-ylnaphthalen-2-yl)oxymethyl]oxolane
CID 90144658
3-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-oxadiazole
CID 166210264
methane;2-[7-(4-methoxyphenyl)-3-(oxan-2-ylmethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
CID 160669868
2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 175644715
2-ethoxy-6-[[(2S)-oxolan-2-yl]methoxy]quinazoline
CID 91462378
[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid
CID 162342133
2-[(2-bromo-4-methoxyphenoxy)methyl]oxolane
CID 104705218
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644927
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine?
The IUPAC name of 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine (CID 172671316) is 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine.
What is the SMILES notation for 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine?
The canonical SMILES for 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine is COc1ccncc1-c1ccc2ccc(OCC3CCCO3)cc2c1.
What is the InChIKey of 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine?
The InChIKey is GZHPQGOHJGVCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-23-21-8-9-22-13-20(21)16-5-4-15-6-7-18(12-17(15)11-16)25-14-19-3-2-10-24-19/h4-9,11-13,19H,2-3,10,14H2,1H3.
What are the key properties of 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine?
4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine has a molecular weight of 335.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine is sourced from PubChem (CID 172671316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).