5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole

C14H20N4O — CID 95466802

IUPAC5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole
SMILESCOc1ccc(C(C)C)cc1CCCc1nn[nH]n1
InChIInChI=1S/C14H20N4O/c1-10(2)11-7-8-13(19-3)12(9-11)5-4-6-14-15-17-18-16-14/h7-10H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyFEQYDAKMQWFLOK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.51
Rot. Bonds6

About 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole

5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole (PubChem CID 95466802) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole
PubChem CID95466802
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole
SMILESCOc1ccc(C(C)C)cc1CCCc1nn[nH]n1
InChIInChI=1S/C14H20N4O/c1-10(2)11-7-8-13(19-3)12(9-11)5-4-6-14-15-17-18-16-14/h7-10H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyFEQYDAKMQWFLOK-UHFFFAOYSA-N
XLogP2.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(5-fluoro-2-methoxyphenyl)propyl]-2H-tetrazole
CID 95452442
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
5-[(5-fluoro-2-methoxyphenyl)methyl]-2H-tetrazole
CID 82126586
4-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]morpholine
CID 170869682
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681019
N-(bromomethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115262362
5-[(3,4-dimethoxyphenyl)methyl]-2H-tetrazole
CID 684046
1-(2-methoxy-5-propan-2-ylphenyl)-N,3-dimethylbutan-2-amine
CID 112513404
2-(2-methoxy-5-propan-2-ylphenyl)ethyl-methylcyanamide
CID 117043469
N-(hydrazinylmethyl)-2-(2-methoxy-5-propan-2-ylphenyl)-N-methylethanamine
CID 115261259
methyl 5-(2-methoxy-5-propan-2-ylphenyl)-3-oxopentanoate
CID 54410073
4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole?
The IUPAC name of 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole (CID 95466802) is 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole is COc1ccc(C(C)C)cc1CCCc1nn[nH]n1.
What is the InChIKey of 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole?
The InChIKey is FEQYDAKMQWFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)11-7-8-13(19-3)12(9-11)5-4-6-14-15-17-18-16-14/h7-10H,4-6H2,1-3H3,(H,15,16,17,18).
What are the key properties of 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole?
5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole has a molecular weight of 260.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methoxy-5-propan-2-ylphenyl)propyl]-2H-tetrazole is sourced from PubChem (CID 95466802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).