5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole

C19H16N4O2 — CID 132591862

IUPAC5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16N4O2/c1-24-18-11-14(19-20-22-23-21-19)9-10-17(18)25-12-15-7-4-6-13-5-2-3-8-16(13)15/h2-11H,12H2,1H3,(H,20,21,22,23)
InChIKeyNMSWSAMQLWHLHR-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.61
Rot. Bonds5

About 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole

5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole (PubChem CID 132591862) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
PubChem CID132591862
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
SMILESCOc1cc(-c2nn[nH]n2)ccc1OCc1cccc2ccccc12
InChIInChI=1S/C19H16N4O2/c1-24-18-11-14(19-20-22-23-21-19)9-10-17(18)25-12-15-7-4-6-13-5-2-3-8-16(13)15/h2-11H,12H2,1H3,(H,20,21,22,23)
InChIKeyNMSWSAMQLWHLHR-UHFFFAOYSA-N
XLogP3.61
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
2-[[4-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 59117233
5-[3-iodo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593252
5-[3-bromo-4-[(2-methylphenyl)methoxy]phenyl]-2H-tetrazole
CID 132593238
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
2-[[3-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 14995097
ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-1,3-dithiolane
CID 4842992
5-(3-tert-butyl-4-methoxyphenyl)-2H-tetrazole
CID 3853694
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
(7R)-2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 40896566
[2-methoxy-4-(2H-tetrazol-5-yl)phenyl] 2,2-dimethylpropanoate
CID 54573821

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole (CID 132591862) is 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole is COc1cc(-c2nn[nH]n2)ccc1OCc1cccc2ccccc12.
What is the InChIKey of 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole?
The InChIKey is NMSWSAMQLWHLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-18-11-14(19-20-22-23-21-19)9-10-17(18)25-12-15-7-4-6-13-5-2-3-8-16(13)15/h2-11H,12H2,1H3,(H,20,21,22,23).
What are the key properties of 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole?
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole has a molecular weight of 332.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole is sourced from PubChem (CID 132591862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).