2-methoxy-4-(2-nonyltetrazol-5-yl)phenol

C17H26N4O2 — CID 137007154

IUPAC2-methoxy-4-(2-nonyltetrazol-5-yl)phenol
SMILESCCCCCCCCCn1nnc(-c2ccc(O)c(OC)c2)n1
InChIInChI=1S/C17H26N4O2/c1-3-4-5-6-7-8-9-12-21-19-17(18-20-21)14-10-11-15(22)16(13-14)23-2/h10-11,13,22H,3-9,12H2,1-2H3
InChIKeyDXXDCEYHRXKDJR-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.80
Rot. Bonds10

About 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol

2-methoxy-4-(2-nonyltetrazol-5-yl)phenol (PubChem CID 137007154) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(2-nonyltetrazol-5-yl)phenol
PubChem CID137007154
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methoxy-4-(2-nonyltetrazol-5-yl)phenol
SMILESCCCCCCCCCn1nnc(-c2ccc(O)c(OC)c2)n1
InChIInChI=1S/C17H26N4O2/c1-3-4-5-6-7-8-9-12-21-19-17(18-20-21)14-10-11-15(22)16(13-14)23-2/h10-11,13,22H,3-9,12H2,1-2H3
InChIKeyDXXDCEYHRXKDJR-UHFFFAOYSA-N
XLogP3.80
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol?
The IUPAC name of 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol (CID 137007154) is 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol?
The canonical SMILES for 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol is CCCCCCCCCn1nnc(-c2ccc(O)c(OC)c2)n1.
What is the InChIKey of 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol?
The InChIKey is DXXDCEYHRXKDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-4-5-6-7-8-9-12-21-19-17(18-20-21)14-10-11-15(22)16(13-14)23-2/h10-11,13,22H,3-9,12H2,1-2H3.
What are the key properties of 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol?
2-methoxy-4-(2-nonyltetrazol-5-yl)phenol has a molecular weight of 318.42 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-nonyltetrazol-5-yl)phenol is sourced from PubChem (CID 137007154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).