5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole

C15H18N4O — CID 125486164

IUPAC5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole
SMILESCOc1ccc(C2=C[C@@H](C)[C@H](c3nn[nH]n3)CC2)cc1
InChIInChI=1S/C15H18N4O/c1-10-9-12(11-3-6-13(20-2)7-4-11)5-8-14(10)15-16-18-19-17-15/h3-4,6-7,9-10,14H,5,8H2,1-2H3,(H,16,17,18,19)/t10-,14-/m1/s1
InChIKeyOWPJQJLZDJBDFR-QMTHXVAHSA-N
MW270.34 g/mol
LogP2.81
Rot. Bonds3

About 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole

5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole (PubChem CID 125486164) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole
PubChem CID125486164
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole
SMILESCOc1ccc(C2=C[C@@H](C)[C@H](c3nn[nH]n3)CC2)cc1
InChIInChI=1S/C15H18N4O/c1-10-9-12(11-3-6-13(20-2)7-4-11)5-8-14(10)15-16-18-19-17-15/h3-4,6-7,9-10,14H,5,8H2,1-2H3,(H,16,17,18,19)/t10-,14-/m1/s1
InChIKeyOWPJQJLZDJBDFR-QMTHXVAHSA-N
XLogP2.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole?
The IUPAC name of 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole (CID 125486164) is 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole?
The canonical SMILES for 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole is COc1ccc(C2=C[C@@H](C)[C@H](c3nn[nH]n3)CC2)cc1.
What is the InChIKey of 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole?
The InChIKey is OWPJQJLZDJBDFR-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-9-12(11-3-6-13(20-2)7-4-11)5-8-14(10)15-16-18-19-17-15/h3-4,6-7,9-10,14H,5,8H2,1-2H3,(H,16,17,18,19)/t10-,14-/m1/s1.
What are the key properties of 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole?
5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole has a molecular weight of 270.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole is sourced from PubChem (CID 125486164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).